diff --git a/Makefile b/Makefile index f58e221..94554d5 100644 --- a/Makefile +++ b/Makefile @@ -95,7 +95,7 @@ scaling: $(GPU_FLAG) \ -e BACKEND=simulator \ -e USE_GPU=$(GPU_AVAILABLE) \ - -v "$$(pwd)/results/scaling:/workspace/results/scaling" \ + -v "$$(pwd)/results:/workspace/results" \ $(IMAGE_NAME) \ mpirun --allow-run-as-root -np $$p python3 benchmarks/local_test_run.py \ > results/scaling/scaling_p$$p.log 2>&1; \ @@ -113,7 +113,7 @@ weak-scaling: $(GPU_FLAG) \ -e BACKEND=simulator \ -e USE_GPU=$(GPU_AVAILABLE) \ - -v "$$(pwd)/results/scaling:/workspace/results/scaling" \ + -v "$$(pwd)/results:/workspace/results" \ -v "$$(pwd)/checkpoints:/workspace/checkpoints" \ $(IMAGE_NAME) \ mpirun --allow-run-as-root -np $$p python3 -c \ diff --git a/benchmarks/aggregate_scaling.py b/benchmarks/aggregate_scaling.py index f943a27..bb188da 100644 --- a/benchmarks/aggregate_scaling.py +++ b/benchmarks/aggregate_scaling.py @@ -17,8 +17,11 @@ from glob import glob -def load_runs(backend: str, since: str | None, seed: int | None) -> list[dict]: - pattern = os.path.join("results", backend, f"{backend}_*.json") +def load_runs(backend: str, since: str | None, seed: int | None, hw: str | None) -> list[dict]: + # results///_*.json -- the hw wildcard/filter + # walks (or targets one of) every hardware folder (a100-sxm4-40gb, + # rtx-6000-ada-generation, cpu-only, ...) + pattern = os.path.join("results", hw or "*", backend, f"{backend}_*.json") out = [] for path in sorted(glob(pattern)): try: @@ -33,6 +36,7 @@ def load_runs(backend: str, since: str | None, seed: int | None) -> list[dict]: if since and d.get("timestamp", "") < since: continue d["_path"] = path + d["_hw_slug"] = path.split(os.sep)[1] out.append(d) return out @@ -54,16 +58,28 @@ def main(): help="filter by SEED (default 42 - matches scaling sweep default)") p.add_argument("--since", default=None, help="ISO timestamp prefix; ignore runs older than this") + p.add_argument("--hw", default=None, + help="restrict to one results// folder (e.g. a100-sxm4-40gb). " + "Required if runs from more than one hardware slug are found.") args = p.parse_args() - runs = load_runs(args.backend, args.since, args.seed) + runs = load_runs(args.backend, args.since, args.seed, args.hw) + + hw_slugs = {r["_hw_slug"] for r in runs} + if len(hw_slugs) > 1: + print(f"ERROR: runs span multiple hardware folders {sorted(hw_slugs)} -- " + f"a scaling table mixing GPUs is meaningless. Re-run with --hw .") + sys.exit(1) + by_rank = best_by_rank(runs) if not by_rank: - print(f"No {args.backend} runs found with seed={args.seed}.") + print(f"No {args.backend} runs found with seed={args.seed}" + + (f", hw={args.hw}" if args.hw else "") + ".") sys.exit(1) - print(f"\nStrong scaling table (seed={args.seed}, backend={args.backend})") + print(f"\nStrong scaling table (seed={args.seed}, backend={args.backend}, " + f"hw={hw_slugs.pop() if hw_slugs else 'n/a'})") for P, r in by_rank.items(): print(f" P={P:<3} {r.get('timestamp', '')[:19]} GPU={r.get('gpu')} " f"{r['_path']}") diff --git a/benchmarks/aggregate_seeds.py b/benchmarks/aggregate_seeds.py index be821ef..c006031 100644 --- a/benchmarks/aggregate_seeds.py +++ b/benchmarks/aggregate_seeds.py @@ -18,14 +18,14 @@ def load_seeded_results(backend: str, since: str | None, - ranks: int | None) -> list[dict]: + ranks: int | None, hw: str | None = None) -> list[dict]: """Load seeded JSON result files; optionally filter by mpi_ranks. Deduplicates by (seed, mpi_ranks), keeping the most recent — guards against accidental contamination when scaling sweeps reuse SEED=42 default and produce JSONs at multiple P values. """ - pattern = os.path.join("results", backend, f"{backend}_*.json") + pattern = os.path.join("results", hw or "*", backend, f"{backend}_*.json") files = sorted(glob(pattern)) candidates = [] for path in files: @@ -42,6 +42,7 @@ def load_seeded_results(backend: str, since: str | None, if ranks is not None and d.get("mpi_ranks") != ranks: continue d["_path"] = path + d["_hw_slug"] = path.split(os.sep)[1] candidates.append(d) # Dedup by (seed, mpi_ranks) - keep most recent timestamp. @@ -136,22 +137,32 @@ def main(): p.add_argument("--ranks", type=int, default=2, help="filter by mpi_ranks; default 2 (canonical config). " "Use 0 to include all (e.g. for ibm backend).") + p.add_argument("--hw", default=None, + help="restrict to one results// folder (e.g. a100-sxm4-40gb). " + "Required if runs from more than one hardware slug are found " + "(wall-clock medians across GPUs are meaningless).") args = p.parse_args() ranks_filter = args.ranks if args.ranks > 0 else None - runs = load_seeded_results(args.backend, args.since, ranks_filter) + runs = load_seeded_results(args.backend, args.since, ranks_filter, args.hw) if not runs: print(f"No seeded {args.backend} runs found " - f"(looking for JSON files in results/{args.backend}/ with 'seed' field).") + f"(looking for JSON files in results/*/{args.backend}/ with 'seed' field).") if args.since: print(f"Filter: timestamp >= {args.since}") if ranks_filter: print(f"Filter: mpi_ranks == {ranks_filter}") sys.exit(1) + hw_slugs = {r["_hw_slug"] for r in runs} + if len(hw_slugs) > 1: + print(f"ERROR: runs span multiple hardware folders {sorted(hw_slugs)} -- " + f"wall-clock medians mixing GPUs are meaningless. Re-run with --hw .") + sys.exit(1) + rank_label = f"P={ranks_filter}" if ranks_filter else "any P" - print(f"Found {len(runs)} unique {args.backend} run(s) at {rank_label} " - f"(deduped by seed+rank):") + print(f"Found {len(runs)} unique {args.backend} run(s) at {rank_label}, " + f"hw={hw_slugs.pop() if hw_slugs else 'n/a'} (deduped by seed+rank):") for r in runs: print(f" seed={r['seed']:<4} {r.get('timestamp', '?')[:19]} {r['_path']}") diff --git a/benchmarks/ibm_test_run.py b/benchmarks/ibm_test_run.py index 8a1dab0..dead893 100644 --- a/benchmarks/ibm_test_run.py +++ b/benchmarks/ibm_test_run.py @@ -14,6 +14,7 @@ from src.api.problems import ChemistryProblem, FinanceProblem from src.api.results import save_results from src.api.log import init_log, log, close_log + from src.api.hardware import HardwareProfile import hpc_core print("hpc_core and interface imported.") except ImportError as e: @@ -165,9 +166,11 @@ def run_scaling_ibm(stack: HPCHybridStack): check_credentials() ts = datetime.now().strftime("%Y%m%d_%H%M%S") - os.makedirs("results", exist_ok=True) - os.makedirs("results/ibm", exist_ok=True) - init_log(f"results/ibm/ibm_run_{ts}.log") + # Detected once here purely to route the log file; HPCHybridStack below + # re-detects for its own use (cheap, avoids threading hw through init_log). + _hw_slug = HardwareProfile.detect().results_slug() + os.makedirs(f"results/{_hw_slug}/ibm", exist_ok=True) + init_log(f"results/{_hw_slug}/ibm/ibm_run_{ts}.log") print(f"[Config] GPU= {'requested' if USE_GPU else 'CPU mode'} ") print(f"[Config] Backend= {BACKEND} ") @@ -192,6 +195,6 @@ def run_scaling_ibm(stack: HPCHybridStack): "seed": SEED, "max_iters": MAX_ITERS, "chemistry": chem_result, - }, backend=BACKEND) + }, backend=BACKEND, hw=stack.hw) close_log() diff --git a/benchmarks/local_test_run.py b/benchmarks/local_test_run.py index 8e55cdd..d146dc5 100644 --- a/benchmarks/local_test_run.py +++ b/benchmarks/local_test_run.py @@ -16,6 +16,7 @@ from src.api.molecule_resolver import (MoleculeResolver, MoleculeTooBigError, ResolutionError) from src.api.results import save_results from src.api.log import init_log, log, close_log + from src.api.hardware import HardwareProfile import hpc_core print("hpc_core and interface imported.") except ImportError as e: @@ -165,8 +166,9 @@ def run_scaling_local(stack: HPCHybridStack): result_line = (f"P={stack.size} T_total={t_total:.4f} final_E={history[-1]:+.6f} tier={getattr(problem, 'ansatz_tier', 'N/A')} qubits={problem.num_qubits} iters={len(history)}") print(f"[Scaling] {result_line}") - os.makedirs("results/scaling",exist_ok=True) - with open(f"results/scaling/scaling_P{stack.size}.txt", "w") as f: + scaling_dir = f"results/{stack.hw.results_slug()}/scaling" + os.makedirs(scaling_dir, exist_ok=True) + with open(f"{scaling_dir}/scaling_P{stack.size}.txt", "w") as f: f.write(result_line + "\n") result = { @@ -219,8 +221,9 @@ def run_weak_scaling(stack: HPCHybridStack): f"T/iter={t_per_iter:.4f} final_E={history[-1]:+.6f}") print(f"[Weak Scaling] {result_line}") - os.makedirs("results/scaling", exist_ok=True) - with open(f"results/scaling/weak_scaling_P{stack.size}.txt", "w") as f: + scaling_dir = f"results/{stack.hw.results_slug()}/scaling" + os.makedirs(scaling_dir, exist_ok=True) + with open(f"{scaling_dir}/weak_scaling_P{stack.size}.txt", "w") as f: f.write(result_line + "\n") result = { @@ -241,9 +244,11 @@ def run_weak_scaling(stack: HPCHybridStack): MOLECULES = sys.argv[1:] ts = datetime.now().strftime("%Y%m%d_%H%M%S") - os.makedirs("results", exist_ok=True) - os.makedirs("results/simulator", exist_ok=True) - init_log(f"results/simulator/run_{ts}.log") + # Detected once here purely to route the log file; HPCHybridStack below + # re-detects for its own use (cheap, avoids threading hw through init_log). + _hw_slug = HardwareProfile.detect().results_slug() + os.makedirs(f"results/{_hw_slug}/simulator", exist_ok=True) + init_log(f"results/{_hw_slug}/simulator/run_{ts}.log") print(f"[Config] GPU={'requested' if USE_GPU else 'CPU mode'}") print(f"[Config] Molecules: {MOLECULES}") @@ -305,7 +310,7 @@ def run_weak_scaling(stack: HPCHybridStack): "molecules": results, "scaling": scaling_result, "weak_scaling": weak_scaling_result, - }, backend=BACKEND) + }, backend=BACKEND, hw=stack.hw) close_log() diff --git a/benchmarks/serial_baseline.py b/benchmarks/serial_baseline.py index 7a70185..247f06e 100644 --- a/benchmarks/serial_baseline.py +++ b/benchmarks/serial_baseline.py @@ -98,12 +98,19 @@ def energy(t): if __name__ == "__main__": import json + import socket from datetime import datetime from src.api.log import init_log, close_log + # Always CPU-only/single-core by design (no HPCHybridStack, no MPI, no GPU), + # so this never routes by GPU model -- but different hosts (laptop vs. + # cluster vs. cloud CPU) still produce non-comparable wall-clock numbers, + # so the hostname is stamped into the output for traceability. + hostname = socket.gethostname() ts = datetime.now().strftime("%Y%m%d_%H%M%S") - os.makedirs("results/baseline", exist_ok=True) - init_log(f"results/baseline/serial_baseline_{ts}.log") + out_dir = "results/cpu-only/serial-baseline" + os.makedirs(out_dir, exist_ok=True) + init_log(f"{out_dir}/serial_baseline_{ts}.log") print("----SERIAL QISKIT AER BASELINE--- ") @@ -124,9 +131,9 @@ def energy(t): for name, d in all_results.items(): print(f"{name:<10} {d['energy']:<16.6f} {d['error']:+.4f} Ha {d['iterations']:<8} {d['wall_time']:<10.2f}") - out_path = f"results/baseline/serial_baseline_{ts}.json" + out_path = f"{out_dir}/serial_baseline_{ts}.json" with open(out_path, "w") as f: - json.dump(all_results, f, indent=2) + json.dump({"hostname": hostname, **all_results}, f, indent=2) print(f"\n[Results] Saved to {out_path}") close_log() \ No newline at end of file diff --git a/results/README.md b/results/README.md new file mode 100644 index 0000000..aa9668a --- /dev/null +++ b/results/README.md @@ -0,0 +1,73 @@ +# Results layout + +Results are organized **by hardware first, then by run/date**, so runs from +different GPUs (or CPU-only) never get mixed together in one directory: + +``` +results/ + / + simulator/ run_.log + simulator_.json (per-run VQE data) + scaling/ scaling_P.txt, weak_scaling_P.txt + ibm/ ibm_run_.log + ibm_cloud_.json + baseline/ serial_baseline_.json (serial-baseline backend only) + plots/ aggregate figures generated from the above (hardware-agnostic) +``` + +## Current hardware folders + +- **`rtx-6000-ada-generation/`** — NVIDIA RTX 6000 Ada (48 GB), university IE + cluster (`haskell`), full P∈{1,2,4,8} strong+weak scaling sweep, April 2026. + No seed sweep (predates that feature), base 4-molecule benchmark only. + Also has `slurm/` (raw Slurm job logs) and `trial/` (7-layer diagnostic logs) + since this ran via `make slurm-trial`/`make slurm-gpu`, not locally. + This name is exactly what `results_slug()` derives from `nvidia-smi`, so a + future rerun on the same cluster hardware auto-appends here. + +- **`a100-lambda-jul2026-archive/`** — NVIDIA A100, Lambda Cloud instance, + July 2026. Seeds 42-46, adds NH3 + N2 to the benchmark set (CO2 attempted, + cancelled after running >1hr — no result). **Only P=2 exists** — no + strong/weak scaling sweep has been run on this hardware yet. + `session-archives/` holds a termination snapshot (exact code + git log) + from the first Lambda session, kept for provenance. + **This folder name was chosen by hand, not by `results_slug()`** — the + exact A100 variant (SXM4/PCIe, 40GB/80GB) wasn't captured at the time, so + the auto-slug for a *new* A100 run will likely create a differently-named + folder (e.g. `a100-sxm4-40gb/`). After the next A100 sweep, check which + folder shows up and either treat it as the new live A100 folder (if the + exact same instance type) or rename this archive to line up — don't just + assume they match. + +- **`cpu-only/`** — anything with no GPU: the `serial-baseline/` single-core + reference (run on Anna's laptop, i7-1065G7 — see `hostname` field in each + JSON to confirm which machine, since re-running this benchmark on a + different CPU produces non-comparable wall-clock numbers), plus early + CPU-only distributed-MPI dev runs and IBM QPU runs from March 2026 + (`distributed-mpi/`, `ibm/`). + +- **`gtx1650-reference/`** — placeholder. The raw GTX 1650 result files were + never committed to this repo and are presumed lost. The only surviving + numbers are the ones published in the thesis PDF + (`sections/methodology.tex` §4.4.6, `sections/results.tex` §4.6.4/§4.7) — + treat those as a fixed reference, not reproducible raw data. This GPU is + kept out of the published GPU-vs-GPU comparison going forward; it was the + preliminary/exploratory hardware only. + +## How new runs get routed here automatically + +`HardwareProfile.results_slug()` (`src/api/hardware.py`) derives the slug +from `nvidia-smi`'s reported GPU name (e.g. `NVIDIA A100-SXM4-40GB` -> +`a100-sxm4-40gb`), or `cpu-only` if no GPU is detected. `template.py` and +`benchmarks/{local_test_run,ibm_test_run}.py` use this to build their output +paths, and `src/api/results.py:save_results()` also stamps `gpu_name`, +`gpu_class`, and `hostname` into every JSON payload — so even if a file gets +copied out of its folder later, it's still self-identifying. + +`serial_baseline.py` is the one exception: it never touches the GPU by +design, so it always writes to `results/cpu-only/serial-baseline/` +regardless of what hardware it's run on, but still stamps `hostname` since +different host CPUs aren't comparable to each other either. + +When aggregating across runs (`benchmarks/aggregate_scaling.py`, +`benchmarks/aggregate_seeds.py`), pass `--hw ` to target one hardware +folder — both scripts refuse to silently average/compare wall-clock times +across different hardware slugs. diff --git a/results/ibm/ibm_cloud_20260727_220130.json b/results/a100-lambda-jul2026-archive/ibm/ibm_cloud_20260727_220130.json similarity index 100% rename from results/ibm/ibm_cloud_20260727_220130.json rename to results/a100-lambda-jul2026-archive/ibm/ibm_cloud_20260727_220130.json diff --git a/results/scaling/scaling_P1.txt b/results/a100-lambda-jul2026-archive/scaling/scaling_P1.txt similarity index 100% rename from results/scaling/scaling_P1.txt rename to results/a100-lambda-jul2026-archive/scaling/scaling_P1.txt diff --git a/results/a100-lambda-jul2026-archive/scaling/scaling_P2.txt b/results/a100-lambda-jul2026-archive/scaling/scaling_P2.txt new file mode 100644 index 0000000..9221d1f --- /dev/null +++ b/results/a100-lambda-jul2026-archive/scaling/scaling_P2.txt @@ -0,0 +1 @@ +P=2 T_total=0.5522 final_E=-5.001826 tier=hwe_adaptive qubits=12 iters=10 diff --git a/results/scaling/scaling_P4.txt b/results/a100-lambda-jul2026-archive/scaling/scaling_P4.txt similarity index 100% rename from results/scaling/scaling_P4.txt rename to results/a100-lambda-jul2026-archive/scaling/scaling_P4.txt diff --git a/results/scaling/scaling_P8.txt b/results/a100-lambda-jul2026-archive/scaling/scaling_P8.txt similarity index 100% rename from results/scaling/scaling_P8.txt rename to results/a100-lambda-jul2026-archive/scaling/scaling_P8.txt diff --git a/results/scaling/weak_scaling_P1.txt b/results/a100-lambda-jul2026-archive/scaling/weak_scaling_P1.txt similarity index 100% rename from results/scaling/weak_scaling_P1.txt rename to results/a100-lambda-jul2026-archive/scaling/weak_scaling_P1.txt diff --git a/results/a100-lambda-jul2026-archive/scaling/weak_scaling_P2.txt b/results/a100-lambda-jul2026-archive/scaling/weak_scaling_P2.txt new file mode 100644 index 0000000..c876a01 --- /dev/null +++ b/results/a100-lambda-jul2026-archive/scaling/weak_scaling_P2.txt @@ -0,0 +1 @@ +P=2 mol=LiH terms=631 terms/rank=316 T_total=0.5004 T/iter=0.0500 final_E=-3.546561 diff --git a/results/scaling/weak_scaling_P4.txt b/results/a100-lambda-jul2026-archive/scaling/weak_scaling_P4.txt similarity index 100% rename from results/scaling/weak_scaling_P4.txt rename to results/a100-lambda-jul2026-archive/scaling/weak_scaling_P4.txt diff --git a/results/scaling/weak_scaling_P8.txt b/results/a100-lambda-jul2026-archive/scaling/weak_scaling_P8.txt similarity index 100% rename from results/scaling/weak_scaling_P8.txt rename to results/a100-lambda-jul2026-archive/scaling/weak_scaling_P8.txt diff --git a/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/Dockerfile.a100 b/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/Dockerfile.a100 new file mode 100644 index 0000000..545796e --- /dev/null +++ b/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/Dockerfile.a100 @@ -0,0 +1,65 @@ +FROM nvidia/cuda:12.6.3-devel-ubuntu22.04 + +ENV DEBIAN_FRONTEND=noninteractive +ENV TZ=UTC + +RUN apt-get update && apt-get install -y --no-install-recommends \ + build-essential \ + cmake \ + git \ + wget \ + curl \ + libopenmpi-dev \ + openmpi-bin \ + libcurl4-openssl-dev \ + libopenblas-dev \ + python3.11 \ + python3.11-dev \ + python3-pip \ + python3.11-venv \ + libgfortran5 \ + libgomp1 \ + && rm -rf /var/lib/apt/lists/* + +RUN update-alternatives --install /usr/bin/python3 python3 /usr/bin/python3.11 1 \ + && update-alternatives --install /usr/bin/python python /usr/bin/python3.11 1 + +RUN pip3 install --no-cache-dir --upgrade pip setuptools wheel + +# Core dependencies +RUN pip3 install --no-cache-dir \ + numpy \ + scipy \ + mpi4py \ + pybind11 \ + qiskit \ + qiskit-nature \ + qiskit-ibm-runtime \ + pyscf + +# GPU acceleration: cupy for CUDA, qiskit-aer built from source with GPU support +RUN pip3 install --no-cache-dir cupy-cuda12x +RUN AER_THRUST_BACKEND=CUDA pip3 install --no-cache-dir qiskit-aer --no-binary qiskit-aer + +WORKDIR /workspace +COPY . /workspace + +RUN mkdir -p build && cd build && \ + cmake .. \ + -DPython_EXECUTABLE=/usr/bin/python3.11 \ + -DCMAKE_CUDA_COMPILER=/usr/local/cuda/bin/nvcc \ + -DCMAKE_CUDA_ARCHITECTURES="70;75;80;86;89;90" \ + -DCMAKE_BUILD_TYPE=Release \ + && make -j$(nproc) + +ENV PYTHONPATH="/workspace/build:/workspace" +ENV CUDA_HOME="/usr/local/cuda" +ENV LD_LIBRARY_PATH="/usr/local/cuda/lib64:${LD_LIBRARY_PATH}" + +ENV IBM_QUANTUM_TOKEN="" +ENV IBM_QUANTUM_INSTANCE="" +ENV IBM_QUANTUM_BACKEND="ibm_brisbane" +ENV IBM_QUANTUM_REGION="us-east" +ENV BACKEND="simulator" + +CMD ["mpirun", "--allow-run-as-root", "-np", "2", "python3", "tests/test_layers_run.py"] \ No newline at end of file diff --git a/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/git_log_at_termination.txt b/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/git_log_at_termination.txt new file mode 100644 index 0000000..a402895 --- /dev/null +++ b/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/git_log_at_termination.txt @@ -0,0 +1,5 @@ +5ea3843 Dockerfile: pass CUDA_COMPILER + CUDA_ARCHITECTURES to cmake so hpc_core builds with GPU +5a6d012 reframe README as QAAS middleware: 3 deployment paths, config API, hardware auto-detect, reproducibility +57c5e76 drop /usr/local/cuda from IBM slurm LD_LIBRARY_PATH (same fix as trial/gpu scripts) +40f3c52 add SEED support for IBM runs; aggregate-seeds handles ibm shape +33f364f merge multi-seed: n=5 + LiH n=10 statistics, GPU strong scaling sweep, aggregators diff --git a/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/local_test_run.py.a100 b/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/local_test_run.py.a100 new file mode 100644 index 0000000..31f8b7b --- /dev/null +++ b/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/local_test_run.py.a100 @@ -0,0 +1,313 @@ +import sys +import os +import numpy as np +import time +from datetime import datetime + + +# Add project root and C++ build dir to import path +_root = os.path.abspath(os.path.join(os.path.dirname(__file__), "..")) +sys.path.insert(0, _root) +sys.path.insert(0, os.path.join(_root, "build")) + +try: + from src.api.interface import HPCHybridStack + from src.api.problems import ChemistryProblem, FinanceProblem, ANSATZ_TIERS + from src.api.molecule_resolver import (MoleculeResolver, MoleculeTooBigError, ResolutionError) + from src.api.results import save_results + from src.api.log import init_log, log, close_log + import hpc_core + print("hpc_core and interface imported.") +except ImportError as e: + print(f"failed to import hpc_core module: {e}") + sys.exit(1) + + + +USE_GPU = os.environ.get("USE_GPU", "yes").strip().lower() == "yes" +BACKEND = os.environ.get("BACKEND", "simulator") +SEED = int(os.environ.get("SEED", "42")) +MAX_ITERS_ENV = os.environ.get("MAX_ITERS", "").strip() # optional cap for hardware-ceiling tests # SPSA random seed (override for multi-seed runs) +_env_molecules = os.environ.get("MOLECULES", "").strip() +MOLECULES = _env_molecules.split() if _env_molecules else ["H2", "LiH", "BeH2", "H2O"] + +resolver = MoleculeResolver(max_qubits=20, allow_network=True, cache_dir=".pubchem_cache",) + + + +def make_problem(molecule_input: str, force_tier: str|None= None)-> ChemistryProblem | None: + try: + result= resolver.resolve(molecule_input,freeze_core=True) + problem = result.to_chemistry_problem(force_tier=force_tier) + problem.prepare() + return problem + + except MoleculeTooBigError as e: + print(f"\n[SKIPPED] {molecule_input}: {e}") + return None + except ResolutionError as e: + print(f"\n[FAILED] {molecule_input}: {e}") + return None + except Exception as e: + print(f"\n[ERROR] {molecule_input}: {type(e).__name__}: {e}") + return None + + + + +def run_chemistry_local(stack: HPCHybridStack, molecule_input: str, force_tier: str | None= None): + if stack.rank == 0: print(f"\n\n--- RUNNING CHEMISTRY TASK {molecule_input} ---") + + problem = make_problem(molecule_input, force_tier=force_tier) + if problem is None: + return None, None + + t0 = time.perf_counter() + max_iters = int(MAX_ITERS_ENV) if MAX_ITERS_ENV else max(200, problem.num_params * 8) # scale with parameter count + ckpt_dir = os.path.join("checkpoints", problem.name) + theta, history = stack.vqe_optimize(problem, + max_iterations=max_iters, + tolerance=1.6e-3, + checkpoint_dir=ckpt_dir, + seed=SEED) + + t_total = time.perf_counter() - t0 + + if stack.rank ==0 and history: + final_e = history[-1] + fci = problem.fci_energy + + best_physical = getattr(stack, '_best_physical_energy', None) + if fci is not None and final_e < fci - 1e-6 and best_physical is not None: + report_e = best_physical + report_iter = getattr(stack, '_best_physical_iter', len(history)) + report_label = "Best physical energy" + else: + report_e = final_e + report_iter = len(history) + report_label = "Final energy" + + error = abs(report_e - fci) if fci is not None else None + error_str = f"{error:+.4f} Ha " if error is not None else "N/A" + + print(f"\n[{problem.name}] Ansatz tier:{problem.ansatz_tier}") + print(f"[{problem.name}] Corr score: {problem.diagnostics.get('correlation_score', 'N/A'):.3f} ") + print(f"[{problem.name}] {report_label}: {report_e:+.6f} Ha ") + if fci is not None: + print(f"[{problem.name}] Reference FCI : {fci:+.6f} Ha ") + print(f"[{problem.name}] Absolute error: {error_str}") + print(f"[{problem.name}] Iterations run: {len(history)} (best at iter {report_iter})") + print(f"[{problem.name}] Wall time: {t_total:.2f}s (includes QPU queue + RTT) ") + print(f"[{problem.name}] Time/iter: {t_total/ len(history):.2f} s ") + + if hasattr(problem, 'resolution_metadata'): + meta = problem.resolution_metadata + print(f"[{problem.name}] Source: {meta['source']} ") + print(f"[{problem.name}] Active electrons: {meta['active_electrons']} ") + print(f"[{problem.name}] Estimated qubits: {meta['estimated_qubits']} ") + + for w in meta.get('warnings',[]): + print(f"[{problem.name}] Note: {w}") + + return history, problem, t_total + + + + +def run_finance_local(stack:HPCHybridStack): + if stack.rank == 0: print("\n\n\n--- RUNNING FINANCE (4-Assest Portfolio QUBO) TASK ---") + np.random.seed(42) + n_assets = 4 + A = np.random.rand(n_assets, n_assets) + cov = A @ A.T / n_assets # synthetic positive-definite covariance + mu = np.random.uniform(0.02, 0.15, n_assets) + + problem = FinanceProblem(cov, expected_returns=mu, risk_factor=1.0) + t0 = time.perf_counter() + _, history = stack.vqe_optimize(problem, + max_iterations=30, + tolerance=1e-3, + checkpoint_dir="checkpoints/finance", + ) + t_total = time.perf_counter() - t0 + + result = None + if stack.rank == 0 and history: + print(f"[Finance] Final objective : {history[-1]:+.6f} ") + print(f"[Finance] Iterations run : {len(history)}") + print(f"[Finance] Wall time : {t_total:.2f} s") + result = { + "final_objective": history[-1], + "iterations": len(history), + "wall_time": t_total, + "n_assets": n_assets, + "history": history, + } + return result + + + +def run_scaling_local(stack: HPCHybridStack): + if stack.rank == 0: print(f"\n RUNNING SCALING (with P={stack.size} ranks) ") + + problem = make_problem("LiH") + if problem is None: + if stack.rank == 0: print("[Scaling] LiH resolution failed, skipping.") + return None + t0 = time.perf_counter() + + _, history = stack.vqe_optimize(problem, max_iterations=10, + checkpoint_dir="checkpoints/scaling") + t_total= time.perf_counter() - t0 + + result = None + if stack.rank == 0 and history: + result_line = (f"P={stack.size} T_total={t_total:.4f} final_E={history[-1]:+.6f} tier={getattr(problem, 'ansatz_tier', 'N/A')} qubits={problem.num_qubits} iters={len(history)}") + print(f"[Scaling] {result_line}") + + os.makedirs("results/scaling",exist_ok=True) + with open(f"results/scaling/scaling_P{stack.size}.txt", "w") as f: + f.write(result_line + "\n") + + result = { + "ranks": stack.size, + "wall_time": t_total, + "final_energy": history[-1], + "tier": getattr(problem, 'ansatz_tier', 'N/A'), + "qubits": problem.num_qubits, + "iterations": len(history), + } + return result + + +def run_weak_scaling(stack: HPCHybridStack): + # Molecule scales with P so per-rank Pauli term count stays relatively constant + weak_scaling_map = { + 1: "H2", # 15 terms / 1 rank =15 terms/rank + 2: "LiH", # 631 terms / 2 ranks = 316 terms/rank + 4: "BeH2", # 666 terms / 4 ranks = 167 terms/rank + 8: "H2O", # 1086 terms / 8 ranks = 136 terms/rank + } + + mol_name = weak_scaling_map.get(stack.size) + if mol_name is None: + if stack.rank == 0: + print(f"[Weak Scaling] No molecule mapped for P={stack.size}, skipping.") + return None + + if stack.rank == 0: + print(f"\n RUNNING WEAK SCALING (P={stack.size}, molecule={mol_name})") + + problem = make_problem(mol_name) + if problem is None: + if stack.rank == 0: + print(f"[Weak Scaling] {mol_name} resolution failed, skipping.") + return None + + t0 = time.perf_counter() + _, history = stack.vqe_optimize(problem, max_iterations=10, + checkpoint_dir=f"checkpoints/weak_scaling") + t_total = time.perf_counter() - t0 + t_per_iter = t_total / len(history) if history else 0 + + result = None + if stack.rank == 0 and history: + n_terms = len(problem.pauli_terms) + terms_per_rank = n_terms / stack.size + result_line = (f"P={stack.size} mol={mol_name} terms={n_terms} " + f"terms/rank={terms_per_rank:.0f} T_total={t_total:.4f} " + f"T/iter={t_per_iter:.4f} final_E={history[-1]:+.6f}") + print(f"[Weak Scaling] {result_line}") + + os.makedirs("results/scaling", exist_ok=True) + with open(f"results/scaling/weak_scaling_P{stack.size}.txt", "w") as f: + f.write(result_line + "\n") + + result = { + "ranks": stack.size, + "molecule": mol_name, + "pauli_terms": n_terms, + "terms_per_rank": terms_per_rank, + "wall_time": t_total, + "time_per_iter": t_per_iter, + "final_energy": history[-1], + "iterations": len(history), + } + return result + + +if __name__ == "__main__": + if len(sys.argv) > 1: + MOLECULES = sys.argv[1:] + + ts = datetime.now().strftime("%Y%m%d_%H%M%S") + os.makedirs("results", exist_ok=True) + os.makedirs("results/simulator", exist_ok=True) + init_log(f"results/simulator/run_{ts}.log") + + print(f"[Config] GPU={'requested' if USE_GPU else 'CPU mode'}") + print(f"[Config] Molecules: {MOLECULES}") + print(f"[Config] Resolver: max_qubits=20, cache=.pubchem_cache/") + + + with HPCHybridStack(use_gpu=USE_GPU, backend=BACKEND) as stack: + results = {} + for mol in MOLECULES: + history, problem, t_total = run_chemistry_local(stack, mol) + + if stack.rank == 0 and history: + if problem is not None: + fci = getattr(problem, "fci_energy", None) + final_e = history[-1] + best_phys = getattr(stack, '_best_physical_energy', None) + if fci is not None and final_e < fci - 1e-6 and best_phys is not None: + report_e = best_phys + else: + report_e = final_e + results[mol] = { + "energy": report_e, + "tier":getattr(problem, "ansatz_tier", "hwe"), + "score":problem.diagnostics.get("correlation_score", 0.0), + "fci": fci, + "iters": len(history), + "wall_time": t_total, + "history": history, + } + + # Finance problem - kept in codebase but excluded from chemistry-focused benchmarks (additional work, will be extended in future) + # finance_result = run_finance_local(stack) + + scaling_result = run_scaling_local(stack) + weak_scaling_result = run_weak_scaling(stack) + + if stack.rank == 0: + print("\n\n\n---ALL LOCAL BENCHMARKS COMPLETE ----") + print(f"Ranks used : {stack.size}") + print(f"GPU : {stack.use_gpu}") + print(f"Backend : {BACKEND} ") + print(f"{'Molecule':<10} {'Energy (Ha)':<16} {'Error (Ha)':<14} {'Ansatz':<20} {'Corr':<6} {'Iters':<8} {'Time(s)':<10} {'T/iter(s)':<10}") + + for mol, data in results.items(): + fci = data.get("fci") + energy = data["energy"] + err_str = (f"{abs(energy-fci):+.4f} Ha" if fci is not None else "N/A") + tier_label = ANSATZ_TIERS.get(data['tier'],{}).get("label", data['tier']) + iters = data.get("iters", 0) + t_wall = data.get("wall_time", 0.0) + t_per_iter = t_wall / iters if iters > 0 else 0.0 + + print(f"{mol:<10} {energy:<16.6f} {err_str:<14} {tier_label:<20} {data['score']:<6.3f} {iters:<8} {t_wall:<10.2f} {t_per_iter:<10.4f}") + + save_results({ + "mpi_ranks": stack.size, + "gpu": stack.use_gpu, + "seed": SEED, + "molecules": results, + "scaling": scaling_result, + "weak_scaling": weak_scaling_result, + }, backend=BACKEND) + + close_log() + + + diff --git a/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/problems.py.a100 b/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/problems.py.a100 new file mode 100644 index 0000000..2268d45 --- /dev/null +++ b/results/a100-lambda-jul2026-archive/session-archives/session1-20260727-termination/problems.py.a100 @@ -0,0 +1,388 @@ +from abc import ABC, abstractmethod +import numpy as np +from qiskit import qasm3 +from qiskit_nature.second_q.drivers import PySCFDriver +from qiskit_nature.second_q.mappers import JordanWignerMapper +from qiskit_nature.units import DistanceUnit +from qiskit.circuit.library import EfficientSU2, TwoLocal + + + +ANSATZ_TIERS = { + "hwe":{"label": "HWE (shallow)", "color": "green"}, + "hwe_adaptive": {"label": "HWE (adaptive)", "color": "amber"}, + "uccsd": {"label": "UCCSD (particle-conserving)", "color": "blue"}, +} + + +def estimate_correlation_strength(pauli_terms: list) -> dict: + if not pauli_terms: + return {"correlation_score": 0.0, "recommended_tier": "hwe","reasoning": "No Pauli terms — defaulting to HWE."} + + coeffs = np.array([abs(c) for _, c in pauli_terms]) + + diagonal_coeffs = [] + off_diagonal_coeffs= [] + two_body_coeffs= [] + + for op, coeff in pauli_terms: + has_xy = any(c in ('X', 'Y') for c in op) + zz_like= op.count('Z') >= 2 and not has_xy + if has_xy: + off_diagonal_coeffs.append(abs(coeff)) + else: + diagonal_coeffs.append(abs(coeff)) + + if zz_like or (has_xy and sum(1 for c in op if c != 'I') >=2): + two_body_coeffs.append(abs(coeff)) + + max_diag= max(diagonal_coeffs) if diagonal_coeffs else 1e-12 + max_off_diag = max(off_diagonal_coeffs) if off_diagonal_coeffs else 0.0 + mean_coeff= np.mean(coeffs) if len(coeffs) > 0 else 1.0 + + off_diag_ratio= max_off_diag / max_diag + spectral_spread = (coeffs.max()- coeffs.min()) / (mean_coeff + 1e-12) + zz_fraction=len(two_body_coeffs) / max(len(pauli_terms), 1) + + score = ( + 0.50 * min(off_diag_ratio / 2.0,1.0) + # off-diag coupling + 0.30 * min(spectral_spread / 10.0, 1.0) + # energy spread + 0.20 * min(zz_fraction / 0.5, 1.0) # 2-body density + ) + score = float(np.clip(score, 0.0, 1.0)) + + if score < 0.25: + tier = "hwe" + reason = (f"score={score:.3f} < 0.25. Off-diagonal coupling is weak (ratio={off_diag_ratio:.3f}). Single-reference character, HWE ansatz is appropriate.") + elif score < 0.55: + tier = "hwe_adaptive" + reason = (f"score={score:.3f} in [0.25, 0.55). Moderate correlation (off_diag_ratio={off_diag_ratio:.3f}, zz_frac={zz_fraction:.3f}). Adaptive HWE with full entanglement recommended.") + else: + tier = "uccsd" + reason = (f"score={score:.3f} >= 0.55. Strong correlation detected (off_diag_ratio={off_diag_ratio:.3f}, zz_frac={zz_fraction:.3f}). UCCSD particle-conserving ansatz recommended.") + + return { + "off_diag_ratio":off_diag_ratio, + "spectral_spread":spectral_spread, + "zz_fraction": zz_fraction, + "correlation_score":score, + "recommended_tier": tier, + "reasoning":reason, + } + + +def build_ansatz(num_qubits: int, tier: str, reps: int, mol_problem=None, mapper=None): + # Builds ansatz circuit for the given tier + # for 'uccsd' tier, mol_problem and mapper are required to construct UCCSD ansatz with HF initial state + if tier == "hwe": + ansatz = EfficientSU2( + num_qubits, + reps=reps, + entanglement="linear", + ).decompose() + + elif tier == "hwe_adaptive": + adaptive_reps = min(reps + 1, 3) + ansatz = EfficientSU2( + num_qubits, + reps=adaptive_reps, + entanglement="full", + ).decompose() + + elif tier == "uccsd" and mol_problem is not None and mapper is not None: + from qiskit_nature.second_q.circuit.library import UCCSD, HartreeFock + + num_particles = mol_problem.num_particles + num_spatial_orbitals = mol_problem.num_spatial_orbitals + + if num_qubits <= 12: # UCCSD depth grows fast, therefore impractical beyond 12 + try: + hf_init = HartreeFock( + num_spatial_orbitals=num_spatial_orbitals, + num_particles=num_particles, + qubit_mapper=mapper, + ) + + ansatz = UCCSD( + num_spatial_orbitals=num_spatial_orbitals, + num_particles=num_particles, + qubit_mapper=mapper, + initial_state=hf_init, + reps=min(reps, 1), + ) + # Do not decompose - breaks UCC parameter ties and particle-number conservation + print(f"[Ansatz] UCCSD built: {ansatz.num_parameters} UCC amplitudes, {num_particles} particles, {num_spatial_orbitals} spatial orbitals") + except Exception as e: + print(f"[Ansatz] UCCSD construction failed: {e} - falling back to HWE-adaptive") + adaptive_reps = min(reps + 1, 3) + ansatz = EfficientSU2( + num_qubits, + reps=adaptive_reps, + entanglement="full", + ).decompose() + else: + print(f"[Ansatz] UCCSD impractical for {num_qubits} qubits - using HWE-adaptive instead") + adaptive_reps = min(reps + 1, 3) + ansatz = EfficientSU2( + num_qubits, + reps=adaptive_reps, + entanglement="full", + ).decompose() + + else: # fallback for non chemistry problems/missing mol_problem + ucc_reps = min(reps, 2) + ansatz = TwoLocal( + num_qubits, + rotation_blocks=["ry", "rz"], + entanglement_blocks="cx", + entanglement="full", + reps=ucc_reps, + skip_final_rotation_layer=False, + ).decompose() + + return ansatz, ansatz.num_parameters + + + + +# STO-3G basis, FCI energies from PySCF +MOLECULE_REGISTRY = { + "H2": { + "geometry": "H 0 0 0; H 0 0 0.74", + "fci_energy": -1.13727, + "reps": 1, + "description": "Hydrogen molecule (H2), 2 electrons, 4 qubits ", + }, + "LiH": { + "geometry": "Li 0 0 0; H 0 0 1.59", + "fci_energy": -7.8825, + "reps": 1, + "description": "Lithium hydride (LiH), 4 electrons, 12 qubits ", + }, + "BeH2": { + "geometry": "Be 0 0 0; H 0 0 1.33; H 0 0 -1.33", + "fci_energy": -15.5952, + "reps":2, + "description": "Beryllium hydride (BeH2), 6 electrons, 14 qubits", + }, + "H2O": { + "geometry": "O 0 0 0; H 0.757 0.586 0; H -0.757 0.586 0", + "fci_energy": -75.0129, + "reps": 2, + "description": "Water (H2O), 8 electrons, 14 qubits", + }, + "N2": { + "geometry": "N 0 0 0; N 0 0 1.09", + "fci_energy": -108.9544, + "reps": 2, + "description": "Nitrogen (N2), 14 electrons, 20 qubits (GPU crossover test)", + }, + "CO2": { + "geometry": "C 0 0 0; O 0 0 1.16; O 0 0 -1.16", + "fci_energy": -187.6, + "reps": 2, + "description": "Carbon dioxide (CO2), 22 electrons, 24 qubits (A100 ceiling)", + }, + "NH3":{ + "geometry": ( + "N 0 0 0.116; " + "H 0 0.931 -0.269; " + "H 0.807 -0.466 -0.269; " + "H -0.807 -0.466 -0.269" + ), + + "fci_energy":-55.4546, + "reps": 3, + "description": "Ammonia- 10 electrons, 16 qubits (NISQ upper limit.) ", + }, +} + + + + +class QuantumProblem(ABC): + def __init__(self): + self.pauli_terms:list[tuple[str, float]] = [] + self.circuit_qasm: str = "" + self.num_qubits: int = 0 + self.num_params: int = 0 + self._prepared:bool = False + + @abstractmethod + def prepare(self): + """Domain specific logic to fill pauli_terms, num params, num_qubits""" + pass + + def get_pauli_count(self) -> int: + return len(self.pauli_terms) + + def get_num_params(self) -> int: + return self.num_params + + def get_num_qubits(self) -> int: + return self.num_qubits + + + +class ChemistryProblem(QuantumProblem): + def __init__(self, atom_coordinates:str, reps: int=1, name:str = "custom", force_tier: str | None=None): + super().__init__() + self.coords = atom_coordinates + self.reps= reps + self.name = name + self.fci_energy = None + self.force_tier = force_tier + self.diagnostics: dict = {} + self.ansatz_tier: str= "hwe" + + + @classmethod + def from_name(cls, molecule_name:str, force_tier: str | None=None) -> "ChemistryProblem": + key = molecule_name.strip() + + if key not in MOLECULE_REGISTRY: + supported = list(MOLECULE_REGISTRY.keys()) + raise ValueError(f"Unknown molecule '{key}', not within known MOLECULE_REGISTRY. Supported: {supported}") + + entry = MOLECULE_REGISTRY[key] + problem = cls(atom_coordinates = entry["geometry"], reps=entry["reps"], name=key,force_tier=force_tier,) + problem.fci_energy = entry["fci_energy"] + return problem + + + + def prepare(self): + if self._prepared: + return + + driver = PySCFDriver(atom=self.coords, basis="sto-3g", unit=DistanceUnit.ANGSTROM) + mol_problem = driver.run() + + hamiltonian = mol_problem.hamiltonian.second_q_op() + mapper = JordanWignerMapper() + qubit_op = mapper.map(hamiltonian) + + raw = qubit_op.to_list() # [("IIZI", (-0.81+0j)), ...] + self.pauli_terms = [(op, float(coeff.real)) for op, coeff in raw] + + self.num_qubits = qubit_op.num_qubits + self.diagnostics = estimate_correlation_strength(self.pauli_terms) + + + # Compute FCI ground truth (will override registry value if available) + try: + from pyscf import gto, fci as pyscf_fci + pyscf_mol = gto.M(atom=self.coords.replace(";", "\n"), basis="sto-3g", unit="Angstrom") + pyscf_mol.build() + mf = pyscf_mol.RHF().run(verbose=0) + fci_solver = pyscf_fci.FCI(mf) + fci_e, _ = fci_solver.kernel() + self.fci_energy = float(fci_e) + except Exception as e: + print(f"[Chemistry:{self.name}] FCI computation failed: {e}, using registry value") + + if self.force_tier is not None: + self.ansatz_tier = self.force_tier + tier_source = "forced" + else: + self.ansatz_tier = self.diagnostics["recommended_tier"] + tier_source = "auto" + + ansatz, n_params = build_ansatz( + self.num_qubits, self.ansatz_tier, self.reps, + mol_problem=mol_problem, mapper=mapper) + self.num_params = n_params + self.ansatz_circuit = ansatz + + + try: # QASM export can fail for nondecomposed UCCSD + self.circuit_qasm = qasm3.dumps(ansatz) + except Exception: + self.circuit_qasm = qasm3.dumps(ansatz.decompose()) + fci_str = (f"FCI reference: {self.fci_energy:.4f} Ha" if self.fci_energy is not None else "") + tier_label = ANSATZ_TIERS.get(self.ansatz_tier, {}).get("label", self.ansatz_tier) + + + print(f"[Chemistry:{self.name}] {len(self.pauli_terms)} Pauli terms, {self.num_qubits} qubits, {self.num_params} params, reps={self.reps}. {fci_str} ") + print(f"[Ansatz] {tier_label} ({tier_source}) | corr_score={self.diagnostics['correlation_score']:.3f} | off_diag_ratio={self.diagnostics['off_diag_ratio']:.3f}") + print(f"[Reason] {self.diagnostics['reasoning']}") + + self._prepared = True + + + + + def energy_error(self, computed_energy:float) -> float |None: + if self.fci_energy is None: + return None + return abs(computed_energy-self.fci_energy) + + + def get_ansatz_summary(self) -> dict: + return { + "molecule":self.name, + "tier":self.ansatz_tier, + "tier_label":ANSATZ_TIERS.get(self.ansatz_tier, {}).get("label", self.ansatz_tier), + "num_qubits": self.num_qubits, + "num_params": self.num_params, + "corr_score": self.diagnostics.get("correlation_score", None), + "off_diag_ratio": self.diagnostics.get("off_diag_ratio", None), + "fci_energy":self.fci_energy, + } + + + + + +class FinanceProblem(QuantumProblem): + # Portfolio optimization with QUBO - Ising mapping. + # Demonstrates stack beyond chemistry. Not included in currest benchmarking + def __init__(self, covariance_matrix: np.ndarray, expected_returns: np.ndarray|None = None, risk_factor: float=1.0): + super().__init__() + self.matrix = np.array(covariance_matrix, dtype=float) + n = self.matrix.shape[0] + self.returns =(np.zeros(n) if expected_returns is None else np.array(expected_returns, dtype=float)) + self.risk_factor = risk_factor + self.num_qubits = n + + + def prepare(self): + if self._prepared: + return + + # QUBO -> Ising: map mean-variance portfolio to Pauli Hamiltonian + n = self.num_qubits + sigma = self.matrix + mu = self.returns + lam = self.risk_factor + pauli_terms: list[tuple[str, float]] = [] + + + for i in range(n): # diagonal Zi terms + zi_coeff = 0.5* mu[i] - 0.5 * lam *sigma[i,i] + op = "I" * i + "Z" + "I" * (n-i-1) + if abs(zi_coeff) > 1e-12: + pauli_terms.append((op, zi_coeff)) + + for i in range(n): # off-diagonal ZiZj terms + for j in range(i+1, n): + zizj_coeff = 0.25*lam * sigma[i,j] + if abs(zizj_coeff) > 1e-12: + op = ( + "I"* i + "Z" + +"I" * (j-i-1) + "Z" + +"I" * (n-j-1) + ) + + pauli_terms.append((op, zizj_coeff)) + + self.pauli_terms = pauli_terms + ansatz = EfficientSU2(n, reps=1).decompose() + self.circuit_qasm = qasm3.dumps(ansatz) + self.ansatz_circuit = ansatz + self.num_params = ansatz.num_parameters + + print(f"[Finance] Prepared {len(self.pauli_terms)} Pauli terms for {n}-asset portfolio ({self.num_qubits} qubits, {self.num_params} params) ") + + self._prepared = True + diff --git a/results/simulator/simulator_20260727_220513.json b/results/a100-lambda-jul2026-archive/simulator/simulator_20260727_220513.json similarity index 100% rename from results/simulator/simulator_20260727_220513.json rename to results/a100-lambda-jul2026-archive/simulator/simulator_20260727_220513.json diff --git a/results/simulator/simulator_20260727_220850.json b/results/a100-lambda-jul2026-archive/simulator/simulator_20260727_220850.json similarity index 100% rename from results/simulator/simulator_20260727_220850.json rename to results/a100-lambda-jul2026-archive/simulator/simulator_20260727_220850.json diff --git a/results/simulator/simulator_20260727_221222.json b/results/a100-lambda-jul2026-archive/simulator/simulator_20260727_221222.json similarity index 100% rename from results/simulator/simulator_20260727_221222.json rename to results/a100-lambda-jul2026-archive/simulator/simulator_20260727_221222.json diff --git a/results/simulator/simulator_20260727_234626.json b/results/a100-lambda-jul2026-archive/simulator/simulator_20260727_234626.json similarity index 100% rename from results/simulator/simulator_20260727_234626.json rename to results/a100-lambda-jul2026-archive/simulator/simulator_20260727_234626.json diff --git a/results/a100-lambda-jul2026-archive/simulator/simulator_20260730_124238.json b/results/a100-lambda-jul2026-archive/simulator/simulator_20260730_124238.json new file mode 100644 index 0000000..4282d03 --- /dev/null +++ b/results/a100-lambda-jul2026-archive/simulator/simulator_20260730_124238.json @@ -0,0 +1,88 @@ +{ + "timestamp": "2026-07-30T12:42:38.402699", + "backend": "simulator", + "git_commit": "unknown", + "mpi_ranks": 2, + "gpu": true, + "seed": 42, + "molecules": { + "N2": { + "energy": -106.42015719935998, + "tier": "hwe_adaptive", + "score": 0.5012668103612478, + "fci": -107.64818429172524, + "iters": 50, + "wall_time": 420.122371189, + "history": [ + -5.9174766154414105, + -21.129684827349678, + -91.05157548812738, + -91.01325688228467, + -91.18375074988768, + -91.46080510245534, + -91.98329586091863, + -92.00307632612038, + -92.01589691198878, + -92.28489473674935, + -92.45506111070932, + -92.58653202783883, + -93.64859773439392, + -94.41878797559883, + -94.5798284509307, + -94.62136564960369, + -95.4400538192076, + -95.49872385726218, + -95.47992415230598, + -96.19510741778484, + -97.21660236889517, + -99.44245559555995, + -99.73119699218921, + -99.81815264027833, + -100.072947632539, 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newline at end of file diff --git a/results/a100-lambda-jul2026-archive/simulator/simulator_20260730_124721.json b/results/a100-lambda-jul2026-archive/simulator/simulator_20260730_124721.json new file mode 100644 index 0000000..70e647c --- /dev/null +++ b/results/a100-lambda-jul2026-archive/simulator/simulator_20260730_124721.json @@ -0,0 +1,2828 @@ +{ + "timestamp": "2026-07-30T12:47:21.802098", + "backend": "simulator", + "git_commit": "unknown", + "mpi_ranks": 2, + "gpu": true, + "seed": 45, + "molecules": { + "H2": { + "energy": -1.13682662217678, + "tier": "hwe_adaptive", + "score": 0.3417904467939164, + "fci": -1.1372838344885023, + "iters": 200, + "wall_time": 1.3935414339998715, + "history": [ + -0.0440623680351197, + -0.03045751050792206, + -0.04140460140220581, + -0.04767931272730003, + -0.03327144328078463, + -0.03811550451773971, + -0.04566585407127033, + -0.039102234578829, + -0.04864029425350519, + -0.056150282726475764, + -0.04999661934535676, + -0.06036287572669802, + 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results/cpu-only/distributed-mpi/simulator_20260318_112038.json diff --git a/results/simulator/template_H2_20260410_172924.json b/results/cpu-only/distributed-mpi/template_H2_20260410_172924.json similarity index 100% rename from results/simulator/template_H2_20260410_172924.json rename to results/cpu-only/distributed-mpi/template_H2_20260410_172924.json diff --git a/results/ibm/ibm_cloud_20260319_013720.json b/results/cpu-only/ibm/ibm_cloud_20260319_013720.json similarity index 100% rename from results/ibm/ibm_cloud_20260319_013720.json rename to results/cpu-only/ibm/ibm_cloud_20260319_013720.json diff --git a/results/ibm/ibm_cloud_20260320_003726.json b/results/cpu-only/ibm/ibm_cloud_20260320_003726.json similarity index 100% rename from results/ibm/ibm_cloud_20260320_003726.json rename to results/cpu-only/ibm/ibm_cloud_20260320_003726.json diff --git a/results/baseline/serial_baseline_20260319_001432.json b/results/cpu-only/serial-baseline/serial_baseline_20260319_001432.json similarity index 100% rename from results/baseline/serial_baseline_20260319_001432.json rename to results/cpu-only/serial-baseline/serial_baseline_20260319_001432.json diff --git a/results/baseline/serial_baseline_20260319_214156.json b/results/cpu-only/serial-baseline/serial_baseline_20260319_214156.json similarity index 100% rename from results/baseline/serial_baseline_20260319_214156.json rename to results/cpu-only/serial-baseline/serial_baseline_20260319_214156.json diff --git a/results/baseline/serial_baseline_20260326_163724.json b/results/cpu-only/serial-baseline/serial_baseline_20260326_163724.json similarity index 100% rename from results/baseline/serial_baseline_20260326_163724.json rename to results/cpu-only/serial-baseline/serial_baseline_20260326_163724.json diff --git a/results/gtx1650-reference/README.md b/results/gtx1650-reference/README.md new file mode 100644 index 0000000..5d4dc10 --- /dev/null +++ b/results/gtx1650-reference/README.md @@ -0,0 +1,18 @@ +# GTX 1650 — no raw data recovered + +This was the preliminary/exploratory GPU (NVIDIA GeForce GTX 1650 Mobile, +Lambda Cloud) used to get the stack working before moving to the RTX 6000 +Ada (university cluster) and A100 (Lambda). No raw JSON/log files from this +hardware exist anywhere in this repo or in +`PayneA_HybridVQEStack_ThesisSubmission` (checked full git history — every +committed result there is `gpu=false`, CPU-only). The data is presumed lost. + +The only surviving numbers are published in the thesis PDF: +- `sections/methodology.tex` §4.4.6 — experimental configuration +- `sections/results.tex` §4.7 (GPU-Accelerated Results) — wall-clock, + strong/weak scaling, cuStateVec vs. Aer-thrust backend comparison + +Treat those as a fixed, non-reproducible reference only. Per project +decision (2026-08-02): GTX 1650 is excluded from the published RTX 6000 vs. +A100 comparison going forward — it was the "got me started" preliminary +trial, not part of the final hardware comparison. diff --git a/results_hpc/scaling/scaling_P1.txt b/results/rtx-6000-ada-generation/scaling/scaling_P1.txt similarity index 100% rename from results_hpc/scaling/scaling_P1.txt rename to results/rtx-6000-ada-generation/scaling/scaling_P1.txt diff --git a/results_hpc/scaling/scaling_P2.txt b/results/rtx-6000-ada-generation/scaling/scaling_P2.txt similarity index 100% rename from results_hpc/scaling/scaling_P2.txt rename to results/rtx-6000-ada-generation/scaling/scaling_P2.txt diff --git a/results_hpc/scaling/scaling_P4.txt b/results/rtx-6000-ada-generation/scaling/scaling_P4.txt similarity index 100% rename from results_hpc/scaling/scaling_P4.txt rename to results/rtx-6000-ada-generation/scaling/scaling_P4.txt diff --git a/results_hpc/scaling/scaling_P8.txt b/results/rtx-6000-ada-generation/scaling/scaling_P8.txt similarity index 100% rename from results_hpc/scaling/scaling_P8.txt rename to results/rtx-6000-ada-generation/scaling/scaling_P8.txt diff --git a/results_hpc/scaling/weak_scaling_P1.txt b/results/rtx-6000-ada-generation/scaling/weak_scaling_P1.txt similarity index 100% rename from results_hpc/scaling/weak_scaling_P1.txt rename to results/rtx-6000-ada-generation/scaling/weak_scaling_P1.txt diff --git a/results_hpc/scaling/weak_scaling_P2.txt b/results/rtx-6000-ada-generation/scaling/weak_scaling_P2.txt similarity index 100% rename from results_hpc/scaling/weak_scaling_P2.txt rename to results/rtx-6000-ada-generation/scaling/weak_scaling_P2.txt diff --git a/results_hpc/scaling/weak_scaling_P4.txt b/results/rtx-6000-ada-generation/scaling/weak_scaling_P4.txt similarity index 100% rename from results_hpc/scaling/weak_scaling_P4.txt rename to results/rtx-6000-ada-generation/scaling/weak_scaling_P4.txt diff --git a/results_hpc/scaling/weak_scaling_P8.txt b/results/rtx-6000-ada-generation/scaling/weak_scaling_P8.txt similarity index 100% rename from results_hpc/scaling/weak_scaling_P8.txt rename to results/rtx-6000-ada-generation/scaling/weak_scaling_P8.txt diff --git a/results_hpc/simulator/simulator_20260415_153142.json b/results/rtx-6000-ada-generation/simulator/simulator_20260415_153142.json similarity index 100% rename from results_hpc/simulator/simulator_20260415_153142.json rename to results/rtx-6000-ada-generation/simulator/simulator_20260415_153142.json diff --git a/results_hpc/simulator/simulator_20260416_233151.json b/results/rtx-6000-ada-generation/simulator/simulator_20260416_233151.json similarity index 100% rename from results_hpc/simulator/simulator_20260416_233151.json rename to results/rtx-6000-ada-generation/simulator/simulator_20260416_233151.json diff --git a/results_hpc/simulator/simulator_20260416_234018.json b/results/rtx-6000-ada-generation/simulator/simulator_20260416_234018.json similarity index 100% rename from results_hpc/simulator/simulator_20260416_234018.json rename to results/rtx-6000-ada-generation/simulator/simulator_20260416_234018.json diff --git a/results_hpc/simulator/simulator_20260416_234809.json b/results/rtx-6000-ada-generation/simulator/simulator_20260416_234809.json similarity index 100% rename from results_hpc/simulator/simulator_20260416_234809.json rename to results/rtx-6000-ada-generation/simulator/simulator_20260416_234809.json diff --git a/results_hpc/simulator/simulator_20260416_235706.json b/results/rtx-6000-ada-generation/simulator/simulator_20260416_235706.json similarity index 100% rename from results_hpc/simulator/simulator_20260416_235706.json rename to results/rtx-6000-ada-generation/simulator/simulator_20260416_235706.json diff --git a/results_hpc/simulator/simulator_20260417_000732.json b/results/rtx-6000-ada-generation/simulator/simulator_20260417_000732.json similarity index 100% rename from results_hpc/simulator/simulator_20260417_000732.json rename to results/rtx-6000-ada-generation/simulator/simulator_20260417_000732.json diff --git a/results/scaling/scaling_P2.txt b/results/scaling/scaling_P2.txt deleted file mode 100644 index dfc6a31..0000000 --- a/results/scaling/scaling_P2.txt +++ /dev/null @@ -1 +0,0 @@ -P=2 T_total=1.3254 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 diff --git a/results/scaling/weak_scaling_P2.txt b/results/scaling/weak_scaling_P2.txt deleted file mode 100644 index 990134a..0000000 --- a/results/scaling/weak_scaling_P2.txt +++ /dev/null @@ -1 +0,0 @@ -P=2 mol=LiH terms=631 terms/rank=316 T_total=1.0258 T/iter=0.1026 final_E=-3.048238 diff --git a/results_hpc/baseline/serial_baseline_20260319_001432.json b/results_hpc/baseline/serial_baseline_20260319_001432.json deleted file mode 100644 index 0fd604b..0000000 --- a/results_hpc/baseline/serial_baseline_20260319_001432.json +++ /dev/null @@ -1,34 +0,0 @@ -{ - "H2": { - "energy": -1.1257578609480614, - "fci": -1.13727, - "error": 0.011512139051938597, - "wall_time": 0.6405734040000652, - "iterations": 200, - "best_iter": 191 - }, - "LiH": { - "energy": -7.880291603175032, - "fci": -7.8825, - "error": 0.002208396824967984, - "wall_time": 41.62367716000006, - "iterations": 576, - "best_iter": 440 - }, - "BeH2": { - "energy": -15.555709488548745, - "fci": -15.5952, - "error": 0.03949051145125537, - "wall_time": 173.83716629900005, - "iterations": 896, - "best_iter": 261 - }, - "H2O": { - "energy": -74.78920544878316, - "fci": -75.0124, - "error": 0.22319455121683518, - "wall_time": 227.2253275239999, - "iterations": 896, - "best_iter": 37 - } -} \ No newline at end of file diff --git a/results_hpc/baseline/serial_baseline_20260319_214156.json b/results_hpc/baseline/serial_baseline_20260319_214156.json deleted file mode 100644 index 533eb82..0000000 --- a/results_hpc/baseline/serial_baseline_20260319_214156.json +++ /dev/null @@ -1,34 +0,0 @@ -{ - "H2": { - "energy": -1.125757860948061, - "fci": -1.13727, - "error": 0.011512139051939041, - "wall_time": 0.8373056279999673, - "iterations": 200, - "best_iter": 191 - }, - "LiH": { - "energy": -7.880291603174964, - "fci": -7.8825, - "error": 0.002208396825036374, - "wall_time": 42.557543554000176, - "iterations": 576, - "best_iter": 440 - }, - "BeH2": { - "energy": -15.555709488548498, - "fci": -15.5952, - "error": 0.039490511451502286, - "wall_time": 174.80817087899982, - "iterations": 896, - "best_iter": 261 - }, - "H2O": { - "energy": -74.7892054487827, - "fci": -75.0124, - "error": 0.22319455121730414, - "wall_time": 229.15817641000012, - "iterations": 896, - "best_iter": 37 - } -} \ No newline at end of file diff --git a/results_hpc/baseline/serial_baseline_20260326_163724.json b/results_hpc/baseline/serial_baseline_20260326_163724.json deleted file mode 100644 index 1010184..0000000 --- a/results_hpc/baseline/serial_baseline_20260326_163724.json +++ /dev/null @@ -1,34 +0,0 @@ -{ - "H2": { - "energy": -1.125757860948061, - "fci": -1.13727, - "error": 0.011512139051939041, - "wall_time": 0.5755502130000423, - "iterations": 200, - "best_iter": 191 - }, - "LiH": { - "energy": -7.880291603174755, - "fci": -7.8825, - "error": 0.002208396825245096, - "wall_time": 51.16969245900009, - "iterations": 576, - "best_iter": 440 - }, - "BeH2": { - "energy": -15.555709488548183, - "fci": -15.5952, - "error": 0.0394905114518167, - "wall_time": 196.72997193400033, - "iterations": 896, - "best_iter": 261 - }, - "H2O": { - "energy": -74.78920544878312, - "fci": -75.0124, - "error": 0.2231945512168778, - "wall_time": 272.9168270950004, - "iterations": 896, - "best_iter": 37 - } -} \ No newline at end of file diff --git a/results_hpc/ibm/ibm_cloud_20260319_013720.json b/results_hpc/ibm/ibm_cloud_20260319_013720.json deleted file mode 100644 index 12bba15..0000000 --- a/results_hpc/ibm/ibm_cloud_20260319_013720.json +++ /dev/null @@ -1,28 +0,0 @@ -{ - "timestamp": "2026-03-19T01:37:20.768386", - "backend": "ibm_cloud", - "git_commit": "unknown", - "mpi_ranks": 2, - "gpu": false, - "chemistry": { - "molecule": "H2", - "energy": -0.17094017066932585, - "fci": -1.1372838344885023, - "error": 0.9663436638191765, - "iterations": 10, - "wall_time": 420.9811300900001, - "time_per_iter": 42.09811300900001, - "history": [ - -0.11084576003057071, - -0.11795667274936297, - -0.1160521765082189, - -0.1071875517674225, - -0.13280239859709256, - -0.13468278891995433, - -0.16205313106616775, - -0.14605649379209684, - -0.146894137974184, - -0.17094017066932585 - ] - } -} \ No newline at end of file diff --git a/results_hpc/ibm/ibm_cloud_20260320_003726.json b/results_hpc/ibm/ibm_cloud_20260320_003726.json deleted file mode 100644 index 1c0ec2c..0000000 --- a/results_hpc/ibm/ibm_cloud_20260320_003726.json +++ /dev/null @@ -1,28 +0,0 @@ -{ - "timestamp": "2026-03-20T00:37:26.948786", - "backend": "ibm_cloud", - "git_commit": "unknown", - "mpi_ranks": 2, - "gpu": false, - "chemistry": { - "molecule": "H2", - "energy": -0.10369192286148483, - "fci": -1.1372838344885023, - "error": 1.0335919116270176, - "iterations": 10, - "wall_time": 2633.338144994, - "time_per_iter": 263.3338144994, - "history": [ - -0.22893928627879814, - -0.19683425274988273, - -0.20622267541916456, - -0.07614703141554499, - -0.11319881352556051, - -0.09355407414837426, - -0.11747302447934377, - -0.12252754779798669, - -0.18811323941880925, - -0.10369192286148483 - ] - } -} \ No newline at end of file diff --git a/results_hpc/plots/accuracy/energy_vs_fci.png b/results_hpc/plots/accuracy/energy_vs_fci.png deleted file mode 100644 index fd8ce87..0000000 Binary files a/results_hpc/plots/accuracy/energy_vs_fci.png and /dev/null differ diff --git a/results_hpc/plots/accuracy/error_comparison.png b/results_hpc/plots/accuracy/error_comparison.png deleted file mode 100644 index 78361be..0000000 Binary files a/results_hpc/plots/accuracy/error_comparison.png and /dev/null differ diff --git a/results_hpc/plots/convergence/convergence_BeH2.png b/results_hpc/plots/convergence/convergence_BeH2.png deleted file mode 100644 index cc86a81..0000000 Binary files a/results_hpc/plots/convergence/convergence_BeH2.png and /dev/null differ diff --git a/results_hpc/plots/convergence/convergence_H2.png b/results_hpc/plots/convergence/convergence_H2.png deleted file mode 100644 index 7be7dab..0000000 Binary files a/results_hpc/plots/convergence/convergence_H2.png and /dev/null differ diff --git a/results_hpc/plots/convergence/convergence_H2O.png b/results_hpc/plots/convergence/convergence_H2O.png deleted file mode 100644 index a85fb3e..0000000 Binary files a/results_hpc/plots/convergence/convergence_H2O.png and /dev/null differ diff --git a/results_hpc/plots/convergence/convergence_LiH.png b/results_hpc/plots/convergence/convergence_LiH.png deleted file mode 100644 index f7fd80d..0000000 Binary files a/results_hpc/plots/convergence/convergence_LiH.png and /dev/null differ diff --git a/results_hpc/plots/convergence/convergence_all_molecules.png b/results_hpc/plots/convergence/convergence_all_molecules.png deleted file mode 100644 index cc96631..0000000 Binary files a/results_hpc/plots/convergence/convergence_all_molecules.png and /dev/null differ diff --git a/results_hpc/plots/ibm/ibm_qpu_convergence.png b/results_hpc/plots/ibm/ibm_qpu_convergence.png deleted file mode 100644 index d871692..0000000 Binary files a/results_hpc/plots/ibm/ibm_qpu_convergence.png and /dev/null differ diff --git a/results_hpc/plots/ibm/ibm_qpu_rtt.png b/results_hpc/plots/ibm/ibm_qpu_rtt.png deleted file mode 100644 index e48c7de..0000000 Binary files a/results_hpc/plots/ibm/ibm_qpu_rtt.png and /dev/null differ diff --git a/results_hpc/plots/scaling/speedup_by_molecule.png b/results_hpc/plots/scaling/speedup_by_molecule.png deleted file mode 100644 index ecb7365..0000000 Binary files a/results_hpc/plots/scaling/speedup_by_molecule.png and /dev/null differ diff --git a/results_hpc/plots/scaling/strong_scaling.png b/results_hpc/plots/scaling/strong_scaling.png deleted file mode 100644 index 39c95b2..0000000 Binary files a/results_hpc/plots/scaling/strong_scaling.png and /dev/null differ diff --git a/results_hpc/plots/scaling/wall_time_serial_vs_distributed.png b/results_hpc/plots/scaling/wall_time_serial_vs_distributed.png deleted file mode 100644 index bcd2001..0000000 Binary files a/results_hpc/plots/scaling/wall_time_serial_vs_distributed.png and /dev/null differ diff --git a/results_hpc/plots/scaling/weak_scaling.png b/results_hpc/plots/scaling/weak_scaling.png deleted file mode 100644 index 2949556..0000000 Binary files a/results_hpc/plots/scaling/weak_scaling.png and /dev/null differ diff --git a/results_hpc/simulator/run_20260415_152358.log b/results_hpc/simulator/run_20260415_152358.log deleted file mode 100644 index 5176751..0000000 --- a/results_hpc/simulator/run_20260415_152358.log +++ /dev/null @@ -1,3458 +0,0 @@ -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) avai[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 [Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_s[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[ 464.17s] Log closed -6068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 2587.6542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 297.3599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 356.4046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 3113.3210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 296.0984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 3816.7655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 336.0943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 3006.2306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 3866.3148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 5718.2642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 3346.4048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 361.6628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 3714.3705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 3857.7053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 3860.8609 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 2578.3094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 3817.1930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 3801.4177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 3867.7883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 3758.8343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 3527.2208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 3803.8770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 341.6753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 467.6047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 349.4090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 3858.9369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 3811.9619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 196.9903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 3972.5555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 3827.1400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 3888.2929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 3800.3158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 3867.4852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 3851.3476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 431.3239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 348.3582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 19.3472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 2833.9966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 3972.3710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 3869.8315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 3829.8482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 3812.3723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 3858.6029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 3950.9733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 3789.4450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 3798.0860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 3863.7617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 34101.1775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 3847.1887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 4020.5271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 3884.4991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 3858.7761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 4150.2524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 381.8206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 331.6887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 354.3082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 3982.0943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 321.6419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 3968.1060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 4034.4074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 4120.8259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 3839.4998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 4046.2143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 4100.8091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 3966.0272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 4113.7172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 3987.1820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 4150.9561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 4077.7077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 4115.5252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 249.2311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 4070.5656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 289.4844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 4053.5781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 152.8797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 30.2502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 3610.6104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 3991.3098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 411.0002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 391.4618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 3878.8890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 3970.3130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 4021.9388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 4010.3290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 420.7458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 4014.7535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 186.9981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 442.2964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 349.9519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 291.3264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 330.3640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 160.3346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 221.7598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 229.6412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 324.4055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 3848.1073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 3976.1022 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 4100.2730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 4011.6438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 4093.8511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 301.3098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 3980.2516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 4015.8227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 4010.5975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 3981.2769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 3988.4456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 215.4676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 3930.7568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 313.5313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 3997.5210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 4039.8145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 3856.5616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 170.4044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 3944.7127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 22.6147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 2301.6407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 3904.5108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 3824.2863 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 3972.1416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 3838.4250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 3816.5180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 3972.5908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 3872.1131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 3795.7358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 3866.6081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 3844.6756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 3852.6202 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 3864.8522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 3587.9143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 3699.7840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 3760.6101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 3788.0382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 3825.1633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 3823.7502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 3724.3882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 3840.5176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 391.5516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 3698.2506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 3834.1857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 3945.3764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 3870.2944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 3840.1737 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 2943.2151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 3403.7305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 3452.0230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 6326.1286 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 123.9621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 115.9692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 126.1094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 119.9115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 94.2844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 84.7212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 422.5805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 100.4118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 255.1176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 174.2562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 159.1455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 371.5075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 304.3651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 85.5492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 235.3390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 248.7471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 224.4476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 164.0058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 114.1684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 101.8481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 74.8181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 154.3849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 157.5397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 134.3294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 167.6718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 289.0485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 113.3103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 4022.6133 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 280.4408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 298.8970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 271.2827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 272.9492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 176.9367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 116.3867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 278.4236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 3959.8652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 3989.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 283.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 3939.6625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 178.5431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 3923.8404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 16.05s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 1.3020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 4525.2252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 4666.2289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 5016.9869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 4645.6125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 4925.4466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 4996.4099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 4672.1082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 4757.2667 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 4835.8877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 4954.3471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 4804.8572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 4612.9798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 4866.1447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 5053.4105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 4891.4894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 4780.2225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 4975.0749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 4834.5263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 4875.7222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 4859.1284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 4819.7442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 4822.6371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 5054.2423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 4806.1425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 4954.0032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 4849.5445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 4800.4782 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 4771.7738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 4533.9633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 109.3285 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 4927.0075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 109.6760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 2708.4294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 4986.4413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 4918.6006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 24.7185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 4840.5434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 121.6365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 5067.0934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 4968.3738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 5191.8415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 5112.6566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 4944.6267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 5073.8684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 4953.5130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 5069.2076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 5131.0606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 5039.6447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 5215.6149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 5205.3166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 5128.1330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 4947.1666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 5081.8229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 5136.8220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 5247.2238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 5228.4785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 5204.6226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 5017.8827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 136.7085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 5267.7681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 4989.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 5028.9146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 5040.4176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 5045.6395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 128.9579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 5094.3573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 5072.3268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 4903.9777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 5145.7765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 5000.7970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 5069.5090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 5098.2557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 5213.4417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 1.0050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 5490.5282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 86.9856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 124.1410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 5106.1529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 5076.7666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 5039.0442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 5251.3072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 140.3078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 116.3622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 113.3815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 115.2433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 110.3529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 128.8591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 108.7829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 116.1223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 111.2575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 111.9872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 4889.9608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 5149.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 4930.8730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 104.0934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 129.2565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 4912.6619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 4958.0178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 4885.6058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 4096.8417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 131.3254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 111.8253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 4889.2815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 120.0434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 5062.9559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 114.0896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 5013.7104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 117.1732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 118.9792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 4956.5005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 117.2363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 4924.8741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 4945.2309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 119.4682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 122.0259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 116.4716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 4889.6374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 125.0883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 4835.5952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 5060.4277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 5057.8712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 3139.6371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 4928.1766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 36.2582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 4751.9434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 4837.5248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 115.4927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 115.7924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 4833.1463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 5051.7000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 122.6804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 4777.7954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 5204.0382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 4899.0476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 106.7630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 116.5912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 4988.6965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 5035.1077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 111.7665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 126.1161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 5173.2678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 114.6783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 126.5696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 126.8860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 5079.9221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 4941.7496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 5010.1194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 4923.2540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 106.8826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 4974.4274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 4996.7504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 4864.3340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 4879.7479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 5054.0313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 4991.7410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 4812.1954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 3753.3557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 4874.9335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 4914.6360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 4975.8097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 4751.1960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 4846.9328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 4907.3825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 5004.6551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 4845.4713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 4960.2894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 4930.3781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 5081.5889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 5128.6115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 111.9215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 118.9049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 4776.7164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 5015.6512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 4723.1452 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 26280.8922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 196.6750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 4708.0506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 4900.8970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 4723.9056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 4983.7663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 130.6494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 4886.7478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 110.8773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 4782.5587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 5003.7464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 116.5971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 4704.1298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 4751.0107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 4717.1583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 4873.0997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 4783.9549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 4714.6753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 4838.7642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 4831.7412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 4991.9482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 4752.1854 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 4767.8261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 4762.9724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 4664.3229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 4877.4810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 4835.5217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 104.7989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 3761.9620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 111.4055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 117.5846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 86.4242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 112.8024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 119.5039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 4647.1033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 112.9623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 0.9948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 4319.8490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 124.2799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 4784.7768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 5708.4389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 95.4693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 113.1754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 4647.5948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 127.1575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 116.1616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 136.7140 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 4941.0299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 120.2075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 4925.3097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 5126.6634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 4857.2881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 125.6366 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 120.6053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 4898.9508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 129.9328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 4934.7254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 4881.1851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 4980.7690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 4897.5213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 5051.7842 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 125.6959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 5093.9478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 112.7621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 5098.9900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 113.3446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 103.0974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 111.5183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 5085.7907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 112.4373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 119.0019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 116.5732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 112.2535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 114.3175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 109.3916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 111.6922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 4892.9513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 108.8422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 114.1574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 116.2562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 111.3815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 4786.2095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 98.8373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 115.0823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 112.9446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 98.9920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 80.0476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 5043.3081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 93.4717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 115.3533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 91.2577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 85.8380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 89.9778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 82.8821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 106.2920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 107.2247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 119.3881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 4934.4630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 104.0111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 106.4556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 79.7603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 103.8121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 112.1889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 105.9418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 116.3993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 106.1301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 127.0035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 104.1061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 103.8802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 105.5941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 121.0536 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 112.8145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 121.5378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 115.2598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 96.1778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 106.9972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 5032.5678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 4932.4267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 131.5691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 5112.4876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 119.8340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 4694.0898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 4815.3688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 5059.8357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 5059.3887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 5099.8651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 4987.1022 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 4450.1311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 4752.7087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 4664.4482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 4643.7016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 4843.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 4847.9245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 4834.6381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 4708.1347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 4763.3194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 4660.4908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 4789.9313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 4846.0359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 4722.4258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 4926.9627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 4801.4585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 4697.9210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 4710.9079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 4713.3356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 4878.1778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 4973.9090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 4804.6868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 4913.3290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 4765.8701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 5061.7270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 4919.5261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 4960.2579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 4952.1148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 4987.3913 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 4881.6116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 5017.1722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 4874.2388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 4890.0472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 4162.1158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 4725.6392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 4451.7828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 97.2759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 126.5658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 85.1070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 76.1452 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 125.9497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 116.0933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 116.2189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 117.5570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 104.2307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 111.4163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 119.3451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 112.1631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 1.0603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 4263.4391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 134.4877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 96.2074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 125.9109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 110.6723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 4044.9256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 92.4487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 136.0003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 149.9631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 150.6173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 150.1262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 122.1523 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 4720.0341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 4965.9397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 4915.6742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 4921.0547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 4929.7731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 4956.0768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 4987.1469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 5016.6419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 4916.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 4860.8300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 4361.9927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 4770.9187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 4916.9594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 4884.3604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 5005.8279 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 4924.9501 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 5027.4453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 4932.5271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 5024.4418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 127.1766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 132.4502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 5128.4106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 4954.2710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 4961.2588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 4996.3678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 5033.0808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 4795.0502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 4962.2250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 4828.8684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 141.2553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 4756.3355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 4936.0118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 134.6437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 5011.7019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 140.2822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 4699.6033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 4941.9494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 4945.6706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 4882.3853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 4898.1520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 4772.4182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 4919.2606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 5039.8184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 4769.2335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 4994.0065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 4981.6812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 4863.5045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 4712.7451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 142.6219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 4783.7035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 4581.9031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 5010.5312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 4888.4962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 153.5953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 125.4666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 4693.8519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 4897.6048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 4924.7673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 4811.6764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 4853.8889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 4941.5184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 4806.0583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 4933.7349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 4825.8799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 4894.2367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 4805.8319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 4283.4922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 4577.0648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 4792.8992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 125.9282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 4948.4190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 4681.7263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 4615.0882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 4764.1620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 4917.5910 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 4836.2009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 4441.4811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 4768.8895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 111.3226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 103.2681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 114.2988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 4661.5115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 4637.1014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 4650.6797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 122.1402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 4592.7019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 108.5294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 4607.4818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 4751.5836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 4795.8338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 107.4265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 3692.9950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 4088.2106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 109.5620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 4568.1638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 4642.2617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 115.3104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 4603.7846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 4720.4597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 4971.4684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 107.7904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 4785.3281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 4850.6099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 4803.9902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 4685.2511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 131.9470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 4841.0022 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 5054.8502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 118.7219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 5182.3135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 4960.5145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 5233.8657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 5085.2159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 862.1689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 4428.9867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 5064.4099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 5015.9638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 152.0585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 122.2768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 151.0314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 5193.6625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 110.7544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 125.2601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 129.3033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 90.6037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 88.9539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 1.0233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 4587.0442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 129.5342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 128.8918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 100.5361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 79.7614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 91.8425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 4686.1510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 37.8410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 74.2308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 118.9751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 131.8277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 94.2892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 129.0043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 5103.5474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 162.4350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 5128.8565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 111.2678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 124.8738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 5185.0322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 106.4334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 5189.8743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 108.9583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 5278.3250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 104.6762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 100.0170 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 82.6556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 5025.6330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 92.3258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 80.0689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 74.8597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 5232.8193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 94.5196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 5264.1764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 98.0116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 82.7757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 128.3299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 121.7964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 85.8603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 80.3807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 93.6594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 5138.2697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 78.4199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 96.7670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 5293.1510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 129.9034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 144.9541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 115.5633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 93.1992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 108.2506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 105.2850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 88.8157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 73.1989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 5370.7921 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 123.2300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 5284.5293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 5261.9619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 5350.2148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 5013.4256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 133.5524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 5278.9287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 5275.2914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 5207.2960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 137.1864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 5177.8928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 5099.2198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 5329.0755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 5398.3006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 5386.5583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 5004.9158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 5261.9923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 5395.4219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 87.5205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 133.9146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 5203.6242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 4693.9660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 5360.9584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 148.8019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 145.7877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 5295.8483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 5184.4288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 5338.1524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 120.4933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 5285.5621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 5079.5095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 5108.4747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 4937.3892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 138.5405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 5103.6714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 138.6595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 137.9058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 4330.1901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 5226.3155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 108.6812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 5288.2951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 137.8109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 4907.9375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 116.8426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 4855.3051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 5099.5711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 3932.5572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 4918.5109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 4780.8434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 133.3918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 127.9835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 5086.9594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 133.4451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 113.1736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 114.6096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 88.8885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 111.1565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 99.5871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 115.0936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 5102.0637 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 128.5578 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 4880.6380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 132.3506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 4908.3105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 156.7391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 143.4095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 4974.7939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 4814.5008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 4853.4733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 4890.5283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 5959.7121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 186.8042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 4908.3813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 4609.6075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 5063.6078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 4757.5155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 4290.1788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 5169.7082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 6033.8311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 4629.9118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 4815.0565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 4943.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 4814.9440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 1.1108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 4330.2706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 4606.5751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 4928.5256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 4815.0281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 4926.4241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 160.9887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 4937.0046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 4926.2366 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 4874.0665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 4861.2781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 78.2387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 4946.7433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 5065.9122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 5089.0656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 4999.8326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 4795.2069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 118.6721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 4884.6420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 5020.4021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 128.3906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 5026.6156 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 5160.6755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 4961.2842 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 121.7053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 4721.7886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 4882.6834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 4906.2331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 4923.7041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 4783.6030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 4816.3321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 4921.7159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 4783.4370 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 4813.0877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 4691.3262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 5104.4841 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 121.1865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 5310.8112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 5079.5565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 116.7651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 5154.7601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 115.2127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 109.3803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 142.4862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 108.8489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 5158.5559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 4933.0290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 91.8465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 4721.0745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 5143.8084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 5147.8224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 121.7253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 121.5507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 127.4425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 117.8447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 5087.7592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 124.0922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 122.5008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 4848.3683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 4980.9793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 5170.1013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 5099.4312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 114.6155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 121.2145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 5119.7555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 366.9995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 5020.6718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 4894.0238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 5063.0604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 4998.2579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 5027.9615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 5203.6810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 4910.8557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 4932.0983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 4916.6181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 4903.8052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 5035.4090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 4994.0879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 4979.5661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 5019.6713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 5048.3702 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 5005.4881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 5103.8180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 5095.2956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 5139.7988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 5058.3353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 134.9237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 5107.7056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 4806.8004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 4953.1818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 5333.2737 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 4985.3827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 4144.3799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 4768.4777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 4943.3884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 5094.4106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 3815.1664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 4802.0255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 4942.4700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 4921.2180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 4779.1790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 4809.1726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 5048.3841 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 5091.0518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 131.4056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 153.1384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 4991.7446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 4799.8474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 4839.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 4939.3325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 4940.1205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 4349.6941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 4875.7134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 4774.4935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 1560.6375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 4823.1101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 4706.9065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 4775.8992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 4855.5709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 5028.3234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 4687.2748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 5083.8183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 4960.2338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 117.6509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 5068.9786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 109.8281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 109.4268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 117.2464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 120.0372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 5085.0656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 102.6781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 4965.0274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 5046.6471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 4914.6792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 5150.4621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 119.3034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 124.8061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 5014.7906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 1.0754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 4436.9707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 146.1228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 4809.9940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 3569.6082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 79.34s (includes QPU queue + RTT) -[LiH] Time/iter: 0.10 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 6443.0542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 6624.1189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 9307.3970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 8202.6250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 7728.4862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 9153.6989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 7112.6372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 8067.4311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 8064.6374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 10150.2690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 7683.2699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 9754.5674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 7175.0796 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 6977.8652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 7683.8487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 10148.4878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 8344.6148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 8528.8499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 8416.0692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 8047.1088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 8539.5902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 9669.9059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 8452.6337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 9192.4485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 7754.2751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 8008.8961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 8569.7715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 8349.6753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 7270.5591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 7984.4766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 8180.2312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 36.9813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 7862.6328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 8025.8567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 3.5079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 8618.6848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 7999.0948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 9864.8420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 7505.3142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 7627.4997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 8286.5016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 44.3088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 10030.6412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 8822.3417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 1.4176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 6665.9264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 6855.1502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 7342.5115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 86.6788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 7804.9334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 6633.1839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 8274.3514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 8553.6397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 8421.1998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 8004.9914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 8557.9252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 8217.3483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 8295.0923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 8250.6927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 8037.1278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 7045.7175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 7882.0402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 4213.9108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 9383.5767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 9637.8148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 10563.3437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 8051.1982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 8082.2240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 7664.7093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 7604.5064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 8896.8461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 8697.0462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 7179.9056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 8702.2417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 7797.2765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 8650.2756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 9783.3594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 8463.4035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 9950.2088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 8810.2982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 9115.2447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 21.8069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 7858.0172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 8370.7339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 10770.9114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 8844.4600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 8175.9135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 7452.0990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 8067.3362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 7893.7387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 8599.1759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 10635.4983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 8714.2509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 8432.4186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 8071.5525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 8865.8447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 8287.0189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 1.4314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 6534.6184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 7573.4099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 8506.6118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 8533.9917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 8717.2078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 7873.9700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 67.6775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 8237.3761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 8406.7325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 7821.0263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 97.9601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 8196.3552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 10609.2945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 7404.6526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 7572.9037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 45974.4560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 7598.8244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 8201.7308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 9319.6381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 7233.1671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 8530.0627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 9248.1260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 8096.7375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 7990.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 6843.0448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 8206.2815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 1.9427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 6075.9550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 7414.0488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 9198.0861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 9757.0937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 7483.8490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 7856.4251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 68.8513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 10165.7009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 9733.4081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 8058.7422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 9217.3532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 7844.6683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 7759.7607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 8128.5110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 7965.2429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 10511.5191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 7645.0394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 8108.1703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 8192.0864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 8254.6807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 9334.3871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 8658.8086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 7757.7292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 7311.3192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 10564.2616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 1.5045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 5.0793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 7273.7074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 8112.7904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 7539.6751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 8016.7228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 20773.3331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 9407.5695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 9990.9645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 112.8175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 8991.7736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 10718.6367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 8623.7107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 8990.3983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 7917.9647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 7682.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 8417.9780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 7918.0423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 8004.0645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 7870.5483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 9519.5665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 9301.6851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 8296.2459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 7876.7171 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 7948.4068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 9178.1354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 7990.0361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 8976.8281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 8377.6616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 8267.7427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 8568.2945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 7137.6720 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 6945.9849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 7135.0700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 9337.9249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 10358.4510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 7895.5600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 8224.7494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 9015.2389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 9367.8610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 8019.3622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 9456.0332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 7999.6361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 8182.4925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 8832.5782 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 9007.1956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 7812.4207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 9716.0274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 8071.4788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 7855.5350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 8655.8341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 8075.2866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 8400.9353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 1.8630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 6747.1963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 8272.1076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 7669.6114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 8334.5026 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 8018.3993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 7691.1840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 8263.9477 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 8295.8063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 2.0466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 6140.7604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 10314.3043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 8547.7375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 9525.7583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 8275.1762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 7446.2943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 67.4565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 7476.3191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 8136.5765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 7241.0940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 107.7275 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 9860.7836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 8643.1027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 7987.9542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 7711.1143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 7633.3573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 7430.8911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 188.8636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 9766.2553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 8228.8541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 9656.4102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 10475.3569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 8142.3078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 8871.9696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 7967.0130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 8059.1726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 8180.2318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 9051.9923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 9989.9320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 8356.9886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 9494.0550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 7968.4361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 10633.9004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 8440.1239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 8339.7219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 9626.6336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 8268.3777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 7984.4638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 7956.0069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 7529.5703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 8635.2322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 6219.2029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 8983.1811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 2.9130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 6049.1045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 109.8386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 8049.3918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 8079.8568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 7484.6951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 7954.8163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 9580.0045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 9556.2277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 8163.8385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 4.2626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 9409.6333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 7977.5925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 8134.3725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 8394.7221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 7412.1269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 9596.3988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 8391.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 8159.5901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 8990.0530 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 8835.1603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 9184.1333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 7670.8411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 7834.7224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 11473.9153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 8314.5991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 10674.1663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 10131.0185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 10100.5883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 8187.7391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 9142.9642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 8147.7805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 8073.8307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 9292.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 10509.2312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 12.9789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 7768.6307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 8302.3695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 10176.2930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 10264.9280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 10742.8013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 8835.9865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 8205.7481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 8853.9277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 8663.7740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 9107.1085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 8199.6298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 7957.7327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 9691.9172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 8255.8080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 3.4347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 2.8938 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 8650.6267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 2.0105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 6083.2297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 8452.3577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 8932.1444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 7355.9383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 3.2263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 9035.1742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 8034.8776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 7611.1003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 7694.6359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 10506.2321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 8512.3329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 8448.1721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 23989.3687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 7862.0562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 7652.4631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 8627.9714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 9186.7573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 7299.3174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 8103.5758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 8126.0631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 9841.4887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 6.0150 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 9910.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 7761.7482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 7697.6590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 8634.3814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 8520.9613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 9957.6277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 8477.3936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 8158.2601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 8052.4064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 7941.9492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 8929.1507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 9448.4748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 8727.1010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 8017.9021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 7610.5280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 7527.7710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 9687.6095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 10519.5280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 10604.8646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 9997.5710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 10466.4439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 9969.5879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 7258.1045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 9583.1323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 8877.9422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 8410.3102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 10393.0135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 8484.0788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 8451.7925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 100.6408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 3.0081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 6906.7271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 9080.4495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 8163.2778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 9285.2810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 7940.8566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 7535.9812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 7608.1686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 9496.1047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 7270.1666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 10053.7344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 8940.6821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 9262.7451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 8559.3793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 10265.9225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 6397.4151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 8404.3090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 9680.2450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 8497.2687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 8108.0203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 8059.7627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 9649.0899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 8382.5562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 8893.3266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 8316.8163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 11044.0535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 7912.5220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 9248.3292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 9944.8050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 7963.8154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 7942.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 8588.6165 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 7080.8081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 8110.0600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 8558.0142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 7863.8999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 8220.1264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 10313.8116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 8607.1327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 8476.8223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 8029.1337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 8513.0545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 3.4039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 4.5911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 9560.7466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 7.7093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 9528.0502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 8482.7817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 8984.5912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 8209.7971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 7691.9367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 29.9374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 9138.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 1.9783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 6395.8050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 7510.7340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 8880.6567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 7180.2916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 8319.9024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 6754.2131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 7982.8953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 8056.8851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 110.8461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 9630.3071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 7444.5710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 7677.7100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 7154.4923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 8164.0576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 8811.0413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 9804.2679 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 8225.4395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 9322.0539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 8245.2647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 11004.6019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 9531.7578 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 8077.5573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 8757.9042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 8969.0228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 8326.1859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 9244.8048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 7976.7608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 17.9807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 59.6036 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 8856.4067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 9260.5455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 8439.6437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 8087.1464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 7588.7578 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 8507.0450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 8746.8868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 6140.8014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 3.4516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 7028.8567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 8229.3587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 23.8718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 7808.0313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 7949.8602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 7500.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 8644.0206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 8713.4869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 8440.0489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 8689.0173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 33.3641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 8906.5457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 9475.0594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 7408.0552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 2.1943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 4.5238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 7317.8025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 2.0617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 8697.0249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 7709.0480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 7458.1711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 174.9668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 8069.4753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 7951.7750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 7076.5683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 7358.3533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 9622.3732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 7719.2899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 7220.8400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 7234.0823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 7672.6100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 8306.4072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 214.7546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 8155.8718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 5423.0177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 30734.0658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 8855.8974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 9244.0087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 7501.0013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 8648.2905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 7490.5469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 8130.7838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 9881.2321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 8167.8716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 8544.2675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 9639.2492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 8366.8386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 31.0459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 9474.2128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 9811.7282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 10540.3960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 8717.4221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 8041.8474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 9071.7113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 8139.9753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 7950.3276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 8330.7584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 7881.6055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 8249.6063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 7397.2294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 8704.4777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 8651.4968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 4.2646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 9344.3929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 10530.4586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 10512.9242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 8456.4620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 2.8966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 5731.9588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 6530.6522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 7667.4321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 10401.3820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 95.6919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 8151.5587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 22.8515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 7736.6444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 9966.2952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 7981.2612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 10158.6172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 26.1073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 7699.8794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 8467.3340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 8823.2036 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 9428.1311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 7694.6865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 8125.7546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 8161.6450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 9618.8018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 7639.0142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 8381.6372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 44.3318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 10867.4099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 8008.1238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 3.3829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 7831.2969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 8136.1035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 8377.7198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 7490.6533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 9789.1523 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 9529.3649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 7541.9384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 8414.2815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 7719.7480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 7779.3115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 4.3039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 9238.7906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 8307.0323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 7737.4711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 8088.8592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 8249.3440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 7899.3653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 8707.0763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 8632.9528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 10032.6000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 10554.1768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 13.8424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 8696.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 10542.6256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 7978.4244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 10014.1351 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 2.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 6346.9727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 89.4809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 7745.9908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 7233.0059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 7247.0045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 9338.0284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 9983.0686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 8101.0292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 7701.5332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 7481.8147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 10886.2233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 8090.6741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 9121.7458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 7951.4059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 9001.0041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 9641.7287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 9809.4548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 8029.3144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 8024.1264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 8850.3591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 8007.3429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 7629.2875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 7762.0516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 7674.6570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 7379.2565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 7988.4768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 7903.6333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 9002.3208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 7425.0915 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 7981.2513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 10167.7460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 8590.3954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 10018.9855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 8518.2951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 7992.3299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 9946.0318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 7848.6861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 7605.3532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 9145.6605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 8308.6068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 8675.9760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 7262.5511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 7880.6729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 7253.9664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 7438.7910 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 8347.8308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 9032.3378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 7680.8738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 7814.4774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 4.0802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 57.7746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 7940.2329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 2.0017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 6476.5266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 7855.3302 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 7941.2942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 7594.3207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 106.9426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 7901.3310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 8331.5457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 8580.4509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 9851.0459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 8924.6894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 8119.8415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 8620.1988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 8306.7300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 10493.1967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 8438.4362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 7983.0683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 8602.5914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 8969.5340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 88.9448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 22.0489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 7775.9775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 7722.5404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 9745.0383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 10451.6764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 7.0579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 20095.7002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 7391.0544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 6890.5251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 7980.0289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 7749.3725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 8629.3056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 10546.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 9028.2281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 8304.7903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 8410.6857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 7519.4502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 9278.2831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 7800.5350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 8330.0433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 7882.3126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 9180.5865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 7882.7268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 9727.6072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 8177.1887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 3.8763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 7814.2747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 7726.6427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 8841.8957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 8479.3627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 8509.5358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 231.9192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 8327.7911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 2.0742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 5892.6781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 8415.6894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 7427.3748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 7476.8490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 8305.4131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 9342.3653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 8558.6070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 8958.2587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 7584.6020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 9054.9107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 9698.7356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 7410.6299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 6850.3274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 9955.5362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 8257.0768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 9369.9008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 7640.2246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 7798.6421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 9476.6287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 9219.2860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 8173.1101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 9198.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 119.8004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 8055.9531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 8528.7680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 9418.1267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 8200.5295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 8447.0895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 8174.0073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 10318.4129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 10205.7850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 8572.7197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 8487.4896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 8422.8547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 9336.8935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 9671.6510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 9356.7072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 7780.5228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 7970.8769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 8328.4377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 9546.6231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 8252.9395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 7810.1950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 9003.8378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 8731.5049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 7928.0827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 8145.4962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 85.2634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 8797.3752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 8473.3677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 7611.6695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 7654.2227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 2.8061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 7927.8099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 10732.0726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 7724.1856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 8234.7899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 8174.7549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 9583.2880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 7834.1426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 7569.3338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 7405.6182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 8416.1467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 9457.2985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 8528.0923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 7959.3418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 36.3419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 7524.8162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 8573.2431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 8522.3094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 7752.6437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 7386.2695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 3615.6979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 1.9350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 7363.6490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 5329.9776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 6655.4793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 7927.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 1.9688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 6848.2680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 10356.1196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 9273.8603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 9998.8808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 7222.3249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 7961.4713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 7860.5778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 8045.9706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 9740.2429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 7732.5858 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 8285.7827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 8208.5649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 8459.5812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 268.7603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 7925.6047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 2.0631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 7123.5302 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 8295.2375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 9530.8900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 8499.5370 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 7884.5500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 9565.6428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 8478.3607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 8162.5846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 10019.6332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 9085.6383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 1.8016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 5934.4042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 6998.3629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 7113.4491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 8336.8969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 93.2368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 8055.0708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 8087.8282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 9020.8629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 9101.6968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 8189.9875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 8207.9249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 8413.3194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 3.6075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 8309.4283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 479.9700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 8418.4478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 428.4904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 8504.9405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 9509.6912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 89.4308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 8297.5034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 7813.8904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 7145.3999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 114.5904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 9072.5803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 7763.0286 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 9378.3598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 7239.4202 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 8747.9732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 7611.0915 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 8447.0509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 8239.0933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 8712.4614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 8334.8160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 8087.4234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 8909.5259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 7759.0343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 8587.5376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 8993.3462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 10381.5692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 9758.4134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 8436.3581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 8187.8954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 8606.8345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 10130.8027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 7689.8875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 10443.5492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 8211.4969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 8977.7525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 8241.9413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 7929.7404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 7986.3810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 3.2402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 7174.3286 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 7827.6454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 7594.5015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 9113.3926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 8057.3680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 8962.5307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 9157.0951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 9555.0524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 9928.9392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 6.3652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 8062.4519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 7680.6714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 8240.1466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 9218.2449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 7947.5365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 8139.1943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 7414.2605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 7597.6758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 124.6812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 7027.3456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 8579.2763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 3.6416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 8072.3196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 7501.0810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 8172.3420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 10624.0909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 6.4442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 7640.0262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 8028.6932 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 7613.1284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 10232.6975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 9463.4954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 7460.7883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 8013.4563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 4.3589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 9892.8446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 8270.5720 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 9377.5114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 7420.4190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 6693.8409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 8532.3003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 7896.9261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 88.1559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 8084.7193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 9297.4733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 7734.1865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 7779.2619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 7992.1790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 64.4870 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 8573.6753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 8681.6860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 8084.3739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 1.8165 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 6452.6552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 7761.4102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 8638.3461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 165.26s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.18 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 2.0000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 6840.0839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 8236.4507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 8319.4237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 11017.8987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 8802.2534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 8284.4855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 8232.4888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 63.8792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 8815.7201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 9720.9155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 64.8768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 8753.8772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 9188.3641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 10550.6301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 9106.7191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 9124.0567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 8761.9451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 9311.6867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 8519.1423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 9606.3213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 8774.3342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 8663.1917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 8385.4319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 8217.9126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 64.6443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 8780.8556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 10606.7696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 8653.2261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 61.7457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 7752.5838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 7015.2978 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 2.5280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 7150.5768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 7326.4838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 9785.3672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 7324.1925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 63.8835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 11.2242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 7418.2871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 96.9214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 8047.7131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 11198.0705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 9181.2835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 61.0789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 8605.4199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 9534.6115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 6647.9315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 6485.0930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 8536.4218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 9069.1250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 8735.6516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 8692.1122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 8095.1400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 25.2547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 7760.9367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 9981.0612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 8464.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 64.6293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 8860.4092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 11147.6856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 8610.1160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 8786.3373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 11365.2550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 8712.6353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 8137.1689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 8959.7985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 64.3233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 11357.7268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 8912.3524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 8785.3753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 8283.8676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 7845.4722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 10542.1731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 8637.0064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 9202.8418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 8609.3644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 9045.9016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 64.9496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 9160.6534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 12630.1941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 9574.9425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 1948.9147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 8781.1197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 8098.7649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 11417.2739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 9994.7791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 8951.6565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 9326.2059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 8846.0007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 72.3429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 9461.2330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 11338.1551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 8660.5062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 8043.1934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 2.5642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 7130.8090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 182.5786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 8435.6497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 9140.9835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 9533.4199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 8987.9497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 8466.9016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 8336.5344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 8466.1773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 9432.3064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 10268.9353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 8439.8540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 11038.4753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 25934.0408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 8265.6005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 8890.2410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 8418.2825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 9549.4038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 9174.0039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 9111.9035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 9695.6550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 63.9953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 8158.9455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 96.6225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 8578.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 101.1659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 8614.9781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 9012.2172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 9569.3041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 9585.8086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 9319.3692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 7747.3284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 8989.0804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 30.1490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 8325.8550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 10129.9497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 7641.4779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 8653.3812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 62.8969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 9090.5209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 9404.4833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 64.0563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 9857.8059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 9368.3854 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 8748.3579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 9785.1055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 8446.4763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 8563.6864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 87.5278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 9512.9058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 8235.9828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 8179.3823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 11592.7197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 8715.2025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 12276.3474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 8461.5046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 55.7883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 66.6650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 88.6188 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 10022.6700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 9363.1653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 9015.5094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 2.8518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 7755.8154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 93.8986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 7906.5402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 8602.5330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 8568.2814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 9403.4520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 6.1604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 8351.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 12834.8955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 9105.6637 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 8850.0661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 8786.4791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 8345.0718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 11493.1666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 8757.2457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 8476.1866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 9300.1358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 11692.0162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 9444.4677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 9058.1767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 8585.8890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 12084.5342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 9021.3479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 67.9462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 91.1098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 9230.1447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 9266.6757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 92.9450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 8647.7167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 11330.6178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 8719.5183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 9755.6146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 9024.3119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 91.2800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 8393.7499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 61.6675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 9163.5881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 9019.9932 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 3.1981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 8321.6691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 8600.1461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 8548.2620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 7810.8317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 8931.3909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 9724.7208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 8933.3685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 88.6292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 9408.0671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 64.7232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 9715.6169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 8362.2787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 62.8933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 9091.4381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 9889.0147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 8891.9763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 90.2592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 6494.9856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 64.4899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 2.4860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 9405.2610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 64.9227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 8167.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 9276.9130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 8880.9587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 2.5752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 7580.4798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 8347.0029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 8584.1013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 10292.0884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 88.0737 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 8787.3643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 8139.9747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 9223.5790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 10707.4626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 8954.3890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 11938.5027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 9112.5004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 65.4634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 9340.2574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 8475.8341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 64.2805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 8619.9088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 8519.7596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 88.5886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 8231.1444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 8669.8216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 7962.4726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 11540.1775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 92.4125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 9337.6307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 68.1872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 8607.4953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 8889.2230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 8605.3981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 8499.3680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 8095.8035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 8415.5500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 29344.5369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 8464.0169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 75.3712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 8685.0744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 64.1352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 8863.8320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 8690.8155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 11672.7200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 9101.1317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 137.2073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 8462.2903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 8387.2429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 11137.2585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 8940.1949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 8180.1291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 8527.5594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 94.9333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 11993.7144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 9206.9751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 9536.3187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 10617.2694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 94.4008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 9495.3107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 7966.4262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 92.8159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 8957.0653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 5770.5008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 62.8463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 9318.4485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 8615.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 8743.1243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 8337.1530 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 10009.8739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 8466.8810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 9128.8783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 7843.4780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 9178.1203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 11029.2317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 8580.7474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 10.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 8914.1670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 2.9795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 8202.6139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 85.1529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 64.3819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 11752.5198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 9482.6087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 8578.6010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 9172.7423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 9719.1668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 3.2071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 8329.7674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 2.5773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 8211.5114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 8819.1061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 11327.8957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 9096.0209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 8811.0919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 8712.1507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 9466.7045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 3.6028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 8106.7877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 64.4382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 8766.4170 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 9094.8373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 8553.1085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 8692.7293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 8932.4640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 9941.6218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 12143.4972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 8591.2347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 86.8493 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 8253.4217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 8611.9545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 9137.3991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 8360.1208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 8333.3783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 8604.2917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 86.4291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 8990.2075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 9786.9689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 9084.0243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 8568.2483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 136.6607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 8793.6201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 8324.4270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 8762.0770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 8780.1723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 4212.2755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 83.1356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 1.4181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 3.0416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 7844.5195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 2.6868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 57.2484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 63.1007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 10.0760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 62.6550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 10.0897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 12137.8559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 8164.0779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 104.5880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 8887.0695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 8280.8501 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 9042.6869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 8949.0994 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 8348.3695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 9567.9195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 9348.6225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 88.5415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 8459.4102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 8355.0079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 10805.7350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 8020.1940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 9070.2329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 8426.3011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 3.1393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 7258.5166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 9751.3822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 9785.8907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 11226.9823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 90.4960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 8625.0681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 8648.6634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 43.3569 | 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2.77e-03 | M: 7962.9143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 9239.7175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 8789.0347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 8713.5970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 8137.9753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 65.9109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 8392.9973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 8451.9751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 9248.7203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 92.4853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 8310.9778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 10972.1347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 8720.9027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 7892.1058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 65.2457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 19485.9010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 7179.7970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 9823.3549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 10503.0247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 9171.5896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 8310.7529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 9216.1689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 68.7800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 9270.2830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 2.7397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 7933.6329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 8945.8643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 87.2924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 11538.8240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 8285.4301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 8672.9699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 8763.8296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 9772.0907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 8774.7454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 62.8162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 8784.6379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 12085.8236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 63.7608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 8334.0597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 8277.5683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 8414.7708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 8025.2800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 9202.5994 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 8258.3514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 8723.0486 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 84.9662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 9227.5955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 65.0142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 8864.2974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 8583.5045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 8745.8405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 8561.6988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 8722.4593 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 2.9662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 7832.2605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 11166.1665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 8370.5935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 8390.0674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 91.4995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 9085.3035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 7854.9919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 2.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 8126.5985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 8023.8663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 6726.1673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 8305.2989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 8251.4168 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 91.2107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 8582.8005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 11379.7867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 8718.3892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 85.1549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 8856.4627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 3.2298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 7749.5123 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 9567.4872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 2.4622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 56.3866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 8501.9322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 8858.5068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 83.6398 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 9162.3539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 2.5754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 7662.3060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 8017.0990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 8270.2352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 8906.8812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 9389.6460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 8502.3104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 8284.9074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 8371.4331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 8843.0470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 11749.5769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 8536.6952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 8819.4080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 8360.8293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 11090.7676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 11895.2681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 8493.1227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 8987.7817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 2.6658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 7129.2425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 201.1386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 8715.3642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 8374.6009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 8877.5508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 10550.3474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 8964.2998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 8727.0680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 8691.0063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 7981.8168 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 8615.7127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 88.0598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 62.5339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 8776.8417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 9030.0754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 8046.7426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 15.7811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 11455.3481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 65.2821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 8961.8565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 9006.3833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 8930.4228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 8639.9400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 9073.1518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 8807.7081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 11310.4581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 89.8903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 8284.6853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 10672.6746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 8985.9583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 63.7559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 9586.1429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 8879.8751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 3.0916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 8730.6305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 11330.7503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 8913.8716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 66.5479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 8808.1597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 8522.5588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 8801.0424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 9614.6062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 8892.5235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 11270.0426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 9227.1399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 7877.6241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 8448.1615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 8876.6894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 8818.4248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 1.6365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 7324.0125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 2.7024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 7325.0237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 62.6584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 7817.6525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 8414.6610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 92.4832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 8173.2130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 60.2252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 8646.5665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 31.4731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 9199.8725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 8909.4664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 8174.2980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 0.3807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 7858.9533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 8140.7879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 8513.3668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 8178.6357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 8799.8902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 9211.8446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 8603.0595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 3.4272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 7779.1747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 8519.8541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 10017.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 8359.2876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 8441.1472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 8089.4214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 8308.7244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 60.8367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 8642.5380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 7741.3463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 8209.4894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 8390.6635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 8605.4174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 9011.1518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 9047.2181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 9034.2865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 125.5382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 8464.1235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 65.3009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 8842.0242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 11520.2598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 8855.4234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 8647.9621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 10883.9541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 9342.3837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 65.3014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 60.3647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 8339.1547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 9167.2601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 9557.1832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 4.7163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 8014.9390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 27.6116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 10692.8137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 8486.1678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 8462.9005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 9514.3988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 2.9280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 7667.5121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 8802.8468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 9766.0235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 9293.5462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 8502.5789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 8489.4782 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 83.1524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 8233.3608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 9395.4234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 8413.2044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 9308.9466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 8437.9119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 9119.2068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 87.8956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 8260.0206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 4.6425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 8120.1529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 8359.4331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 8427.4361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 8677.8960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 2.2011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 6847.1028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 3.1729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 7944.9014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 7750.9654 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 88.2499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 62.3454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 92.4525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 62.7045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 8222.1362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 68.2877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 8378.0198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 9939.5857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 7732.2202 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 8791.8743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 9039.6777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 8818.8938 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 67.7902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 11495.3835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 9197.7203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 9269.6328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 10050.6845 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 8375.6306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 4.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 9034.8681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 70.2382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 92.6399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 10736.3809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 63.9881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 10082.7009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 69.2320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 8859.7034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 11944.7873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 8854.6479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 10807.9695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 10563.0524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 8282.4887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 63.1239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 63.5075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 8886.6395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 8733.1002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 11181.0289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 9070.2471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 8801.8395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 8532.8645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 11576.4542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 8331.0786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 8353.1633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 8227.7912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 8965.9585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 9078.7062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 10967.7155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 8449.2080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 61.5287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 8455.3464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 8466.7364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 8977.5761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 9072.2442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 8864.7859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 8474.5752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 131.9697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 8540.1633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 8171.7006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 8095.0986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 63.1695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 9105.1795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 8205.0463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 9707.5169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 10820.4056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 8840.6670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 8560.5933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 8633.6158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 270.5896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 8555.9820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 63.1631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 10437.1085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 8671.5441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 9885.2583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 8450.1282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 8574.6879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 9570.0425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 8571.6219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 63.4346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 26127.1110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 87.5194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 9152.2019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 8486.6465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 9083.5391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 9175.8847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 8987.9968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 8011.5568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 9376.9705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 8793.7911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 9014.3989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 10335.8193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 10031.5616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 11411.3936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 6271.0488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 9986.7658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 8057.8887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 8731.0992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 8915.7191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 9198.3812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 9093.8864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 8997.6334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 9015.3117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 85.5304 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 11999.8609 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 9407.2672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 8618.5590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 66.8771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 124.5348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 8390.8089 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 9183.2544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 82.4943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 8503.2050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 8639.8073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 2.7745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 7868.8732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 10762.2261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 16.1031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 8393.0180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 8394.3029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 12316.1739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 8565.2590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 63.2867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 11362.0907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 64.0777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 8598.9538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 66.7210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 9263.8499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 10719.3134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 96.3696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 8540.8682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 8712.3010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 61.7348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 8350.2795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 10470.2212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 62.8453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 8595.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 8021.6615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 88.6018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 8634.7042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 9840.5469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 9698.7765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 9429.5933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 8462.4869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 8816.7797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 6930.5790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 8889.0271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 9269.4703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 58.9561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 11754.0944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 88.4554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 91.5188 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 9095.7900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 9833.3110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 8442.0548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 8902.3643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 63.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 6298.6329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 7091.2884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 67.6674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 14.1701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 6540.2803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 67.0005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 88.8961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 9.4565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 7731.1295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 8869.9881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 9092.2728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 65.3243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 8775.2564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 4.2087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 11078.0083 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 9341.0064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 8719.4835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 8643.7911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 63.5380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 8304.4189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 8689.5028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 64.9840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 8783.5346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 10171.8142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 8463.8313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 10876.5304 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 8561.5587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 8111.9474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 2.6293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 8047.3778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 8583.0308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 9011.6146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 87.3046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 67.0929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 8480.9225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 10189.3538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 11616.8563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 9009.2200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 9195.5835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 9404.0669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 8866.7914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 8258.1660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 11834.9484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 6610.0480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 11078.1238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 8648.8719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 9326.7264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 8311.1733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 67.9798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 8947.5519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 10688.6796 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 6446.7532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 7211.2333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 8052.4043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 10708.1822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 8831.1129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 8557.9249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 62.7460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 8580.1282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 63.6422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 7968.2007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 10471.5031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 70.0213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 9483.4846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 8544.6847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 11804.4849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 8335.5424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 63.8294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 22937.9240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 9197.6205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 59.6433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 65.7347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 9046.3225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 8781.0377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 61.7220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 8013.6784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 8000.2136 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 8121.3131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 12091.5566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 8522.3200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 11432.9982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 9262.0959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 9178.2957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 11679.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 9197.2241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 9854.9392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 8817.5510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 9284.4038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 3.6078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 88.9336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 12714.9759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 9221.6272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 8483.7697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 8796.4806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 10054.6587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 8831.1612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 9508.6565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 3.2015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 7722.5179 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 8572.2653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 59.3568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 9631.6471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 8566.2821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 8630.8014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 8105.5615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 9232.1971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 8166.2987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 3.2037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 7471.7402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 9224.2051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 85.5509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 8081.6941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 66.1577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 8219.3158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 8835.7944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 10417.2514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 185.81s (includes QPU queue + RTT) -[H2O] Time/iter: 0.21 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=2 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 3.4045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 3968.3015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 4681.5314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 5015.4552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 4375.9641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 5091.8002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 4902.6220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 4900.6721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 5061.5164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 5025.1763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=2 T_total=1.1613 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=2, molecule=LiH) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.393333 | Delta: inf | M: 0.2674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.558221 | Delta: 1.65e-01 | M: 4298.9502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.683524 | Delta: 1.25e-01 | M: 6031.3369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.969214 | Delta: 2.86e-01 | M: 127.3228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.124101 | Delta: 1.55e-01 | M: 4741.4659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.536693 | Delta: 4.13e-01 | M: 4685.9125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -2.211627 | Delta: 6.75e-01 | M: 4839.3509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -2.321251 | Delta: 1.10e-01 | M: 4791.8350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -2.744259 | Delta: 4.23e-01 | M: 4864.2403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -3.048238 | Delta: 3.04e-01 | M: 4795.4441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=2 mol=LiH terms=631 terms/rank=316 T_total=1.7573 T/iter=0.1757 final_E=-3.048238 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 2 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 16.05 0.0802 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 79.34 0.1033 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 165.26 0.1844 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 185.81 0.2074 -[Results] Saved to results/simulator/simulator_20260415_153142.json -[ 464.17s] Log closed diff --git a/results_hpc/simulator/run_20260416_232410.log b/results_hpc/simulator/run_20260416_232410.log deleted file mode 100644 index 7f01a67..0000000 --- a/results_hpc/simulator/run_20260416_232410.log +++ /dev/null @@ -1,3459 +0,0 @@ -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[ 461.24s] Log closed -555.2224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 26.6034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 3812.0085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 2998.2702 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 3913.0837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 3781.7647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 3722.3843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 2946.8077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 3689.5134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 3653.5431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 0.9210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 3415.6519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 166.6617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 3797.5729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 3765.6855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 3172.3238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 367.4325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 3818.3528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 143.1771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 301.3949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 122.9690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 104.7172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 3659.1141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 188.1143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 3744.5298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 3731.8122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 3686.9392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 3804.7515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 3698.5214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 3707.3040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 3555.8118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 3785.3765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 403.1576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 3733.7591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 340.8949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 3619.6672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 2656.8399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 26.6545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 3722.2382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 2043.9515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 3690.6483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 3751.4471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 3837.4621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 3810.1770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 3712.0267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 348.5742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 491.9166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 3725.0115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 3665.7355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 501.7139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 3565.6882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 315.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 3620.1999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 290.9441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 3664.6959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 165.7966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 3656.2440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 468.7925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 324.2131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 2946.3626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 366.9227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 520.8424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 3685.1509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 327.8251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 298.1871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 3761.4387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 3799.9222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 178.1043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 176.1641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 88.4267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 112.4348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 102.6747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 95.8766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 3738.0194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 3709.6880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 3469.9821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 39.8066 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 3746.6238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 3697.2090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 3721.6374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 3789.2017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 3725.7113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 3732.5339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 3716.9618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 3709.6060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 3691.0580 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 3484.2224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 3509.1349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 3538.2546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 3548.1416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 3613.3402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 3539.6240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 239.2838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 3639.1555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 3550.5540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 3517.5635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 3655.6901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 3593.0774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 3667.6687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 514.7680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 3635.9331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 3558.9515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 3558.8683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 3534.5896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 3498.1243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 373.1281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 3630.0591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 3576.3659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 3703.8620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 3448.3684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 3695.4254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 4017.8311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 4853.9688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 2174.6331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 1790.3172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 3581.9794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 3635.7675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 3646.7574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 3677.5208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 3764.7737 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 3729.1119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 3790.0682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 3706.2494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 3622.2395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 3646.5646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 3720.2021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 3772.3106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 3712.2311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 3713.9565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 3609.3834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 3681.7278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 3532.3499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 3633.9786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 3726.6494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 3746.9852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 3670.6818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 3648.7581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 3795.1027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 3665.5904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 262.5161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 3654.6342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 3641.3656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 3592.0471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 2818.1645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 3302.0511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 3326.2650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 3545.2373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 0.6533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 3441.7706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 3446.3713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 2792.1403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 3750.4223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 3762.1276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 3452.4700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 3610.2993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 3738.0394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 76.0742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 3544.1738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 3622.8573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 3637.4139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 3631.7734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 3671.6920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 3683.5647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 3743.8561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 3682.9819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 3703.7869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 152.2888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 3686.9459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 3754.8986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 3732.8277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 3822.9052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 3747.5758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 3470.1980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 3666.6050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 3672.0586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 130.5498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 3639.2285 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 234.7827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 3603.5090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 3749.6344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 322.4409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 421.9124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 3760.2539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 3657.4455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 3627.0765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 3468.8584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 3617.0309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 3651.4238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 16.60s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 4741.9413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 147.4227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 131.2934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 4698.5844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 126.2357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 117.6463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 4924.8389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 4802.5804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 119.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 4691.4041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 4872.1088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 121.5754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 123.2507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 127.0173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 100.6535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 114.9071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 118.9670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 70.9424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 106.6828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 88.2587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 118.2005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 77.0513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 111.9463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 4898.1298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 4833.0724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 21.9182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 4788.6355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 4880.8220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 4660.1162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 4839.0572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 2899.0703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 4650.1175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 4491.8759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 4876.6061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 4693.9892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 4576.4135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 4716.6904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 4592.1771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 4346.5334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 193.5428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 4800.1837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 4726.2139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 4938.5003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 4471.8804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 4097.2422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 4805.2541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 4779.9631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 4772.8539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 4759.6563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 4679.0269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 4687.0214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 4667.9253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 4774.1676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 4917.8356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 4613.3641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 4761.0209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 4081.4655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 4785.1060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 4782.0001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 4742.0995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 4746.7791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 4842.1823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 4712.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 4756.1465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 134.9764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 123.6435 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 157.5282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 4932.2980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 105.3769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 4950.5411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 4471.8481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 4893.1746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 4918.7526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 4999.2308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 4329.4232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 4609.8379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 4688.7689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 1.0032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 4290.3761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 4244.0157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 144.6324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 4627.3725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 4809.3403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 4613.9952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 4765.9780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 4595.6164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 4826.9641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 4284.5541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 130.1662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 4279.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 96.6079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 127.9889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 5498.3624 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 28.4664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 140.3455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 91.9254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 5180.2154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 93.7237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 128.1669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 126.4249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 134.9184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 42.1602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 110.6733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 6224.4429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 5455.3614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 96.1031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 5895.8975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 13.7375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 59.1193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 5251.7618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 5885.4786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 5581.1995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 4907.3213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 112.6862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 44.7952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 5401.9405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 6126.3398 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 4945.1388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 12.8078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 5065.7466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 13.3267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 4.3092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 5.5120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 99.5743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 5673.0054 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 5318.4014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 4860.6359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 5104.6163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 131.0449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 4804.7734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 6774.7628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 115.0719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 31.6821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 28.6537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 4992.3767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 16.0579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 65.6431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 51.0468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 46.6970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 37.9152 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 88.2584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 137.3738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 5007.9891 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 4941.7046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 75.8652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 78.0237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 59.6943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 64.0008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 125.5533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 132.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 5354.3095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 4502.9933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 4514.0612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 4442.8117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 4413.5197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 4511.9349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 2821.9055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 4329.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 4276.8528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 4307.3769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 4440.3642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 4521.1632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 4423.6150 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 140.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 173.7947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 132.1024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 149.2516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 141.2831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 103.1025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 4977.6258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 127.6208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 4746.1579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 142.6178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 145.0096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 140.5805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 5077.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 4594.6068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 116.9429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 129.2561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 148.2305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 133.3396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 5124.2301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 5160.5748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 5247.2880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 162.9927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 127.3673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 132.7745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 85.0129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 5280.0529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 94.5081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 160.5718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 126.7344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 5021.1890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 78.7058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 113.1736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 126.1191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 137.5099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 78.8150 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 49.8749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 81.1900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 86.0082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 70.0222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 76.2727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 106.1725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 201.0405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 86.0401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 96.0284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 78.8238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 128.8123 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 73.1492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 69.8034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 82.4128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 150.2155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 80.6439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 81.2876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 90.7301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 0.9824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 3984.2064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 79.9892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 82.3004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 72.9048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 4796.0144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 99.4489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 117.0096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 118.3394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 121.3058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 127.3813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 4846.8029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 139.9693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 112.7450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 128.0583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 66.5268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 67.4041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 65.4909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 66.4323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 78.2778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 62.6553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 5158.0632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 36.7982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 73.2537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 62.3771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 67.0699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 67.3057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 73.0824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 88.1365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 75.8756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 73.2562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 62.9099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 4908.8230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 144.8564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 4990.9449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 187.0345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 4578.1139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 4697.0365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 4784.3772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 164.6778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 4809.6831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 5052.4556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 4941.4774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 4574.1967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 5024.5943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 97.0726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 156.6296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 116.2176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 140.8330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 110.7241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 72.6977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 100.0235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 97.5094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 106.5314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 4974.0944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 74.2358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 89.0647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 136.6862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 4698.2624 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 95.5736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 132.7947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 124.0161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 154.6679 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 152.9914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 131.9831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 133.3154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 106.2387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 102.0745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 78.6332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 61.1570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 53.9955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 66.1795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 75.5244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 92.9903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 58.4363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 3893.7143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 112.3839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 84.6868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 102.8378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 127.1336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 93.1244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 105.7379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 77.9851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 69.9447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 131.0439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 93.3897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 108.8733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 77.2742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 102.8359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 139.9827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 127.1484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 117.9502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 113.4647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 72.4837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 96.7876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 4246.8231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 136.4703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 149.9931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 109.9653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 191.4048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 191.2480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 128.9572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 4574.3811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 4654.7811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 111.0982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 162.0232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 4807.0470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 4675.2109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 4812.5401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 131.0106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 4575.4124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 4667.0265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 95.5084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 157.4620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 162.1082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 119.0722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 4814.2599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 4910.7783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 4628.9567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 182.1068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 4620.3683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 4573.2088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 4821.7263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 4476.3662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 187.0848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 4682.0575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 4630.9062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 4705.4937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 133.2607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 164.6021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 154.4129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 4588.4076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 159.6010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 139.9588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 189.9210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 4968.4409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 178.3861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 4794.7128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 151.7371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 142.7104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 1.0862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 4105.7274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 4415.2493 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 4593.9723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 4709.3069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 4584.5469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 4680.1705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 4520.2289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 145.6000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 87.6812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 135.9985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 110.4007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 117.9473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 90.8325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 100.3465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 101.1592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 91.2068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 98.3445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 155.4697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 137.1233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 147.6212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 72.8974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 155.4818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 4758.9277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 4879.7102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 206.4822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 143.1635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 5903.2671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 70.8551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 77.1359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 130.2701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 156.6227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 4946.1653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 159.7704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 122.5676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 126.5916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 123.6930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 126.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 144.6026 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 104.3745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 132.9689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 5010.5585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 128.2379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 110.1961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 119.3216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 111.5924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 161.8542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 4800.9871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 143.4018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 118.0889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 127.1250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 4953.2455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 112.7826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 147.3695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 4866.6427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 4617.1669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 4746.6444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 4856.2042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 4623.8563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 4829.7529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 4823.0393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 4677.1292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 4733.1492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 4768.2571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 4703.4362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 4697.6668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 4792.9349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 4331.7678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 99.9783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 94.8874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 4443.2929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 4752.4183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 4827.9473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 142.3766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 4852.1454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 4684.5414 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 152.0229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 4675.1361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 4870.2271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 4659.4276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 4707.9278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 5022.4469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 4646.7775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 4758.4170 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 4900.7395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 4844.4822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 4872.9076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 4794.7705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 4681.9448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 4712.8363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 4604.3019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 4620.1691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 4588.6233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 4584.1169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 4638.0889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 4571.1987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 4757.1925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 3435.6433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 4156.7766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 4373.2090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 4159.4182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 4509.5372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 4638.7670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 4690.8757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 4740.3567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 4720.9535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 4942.8761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 4606.4816 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 4512.9808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 231.9904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 4765.1561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 4888.2536 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 4763.3531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 4812.5214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 149.7686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 4179.8424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 4749.8975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 4821.7100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 4739.4723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 4873.2046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 4899.0160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 4906.9888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 162.2812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 4557.9205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 4641.8389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 4570.6958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 178.8768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 138.2817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 4585.5301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 124.2197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 4756.7792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 125.1244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 4709.1328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 172.4353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 103.1945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 4342.0939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 102.6943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 80.5752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 91.5481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 74.0279 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 1.1128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 4174.2576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 4602.2209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 4443.4031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 4483.2918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 4647.0183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 4538.4548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 4506.1895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 130.9104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 138.3917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 4611.2593 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 4219.1433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 4439.4788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 4410.9089 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 177.4419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 4655.7505 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 4637.4487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 4742.9454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 4656.6858 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 4825.5228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 4770.7085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 4723.0660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 4672.8095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 4656.9709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 4625.9007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 4708.0451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 4745.8196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 4635.4535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 154.4909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 4610.7338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 137.2232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 4926.7238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 4886.2278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 5797.9822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 44.8024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 4662.2239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 128.3368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 4898.9638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 145.5273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 4928.2789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 217.6552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 5050.8554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 4845.5298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 169.0797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 159.1926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 4729.1736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 4760.2647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 4895.6763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 139.1888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 142.8831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 4815.3577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 4970.7764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 4906.0980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 133.2778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 129.3240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 4865.2253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 4724.3253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 4966.0120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 4880.6674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 77.3802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 91.5535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 73.3389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 5105.4828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 4985.7330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 128.7352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 5002.6728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 4614.8210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 4847.1948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 4884.3901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 4978.8074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 4885.8192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 4806.1304 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 4811.2467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 4935.6133 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 4834.5392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 4772.2235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 4993.0451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 5052.4482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 4934.0761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 4743.4018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 4936.3750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 4681.5381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 4265.5669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 4657.0505 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 166.0113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 4529.8284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 4558.7565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 4795.3655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 4657.0040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 4820.3257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 4697.2625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 189.4161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 167.7956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 159.4311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 164.0622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 4622.5871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 4501.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 171.5963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 127.4719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 3933.6402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 4594.5302 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 4507.3427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 4594.0063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 4822.0678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 4691.4784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 4769.0853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 4874.6168 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 4796.5774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 4821.2176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 124.0038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 4761.4634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 4809.9963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 4800.8346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 4862.9357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 108.9073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 109.4364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 83.1682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 4696.4032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 116.5173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 101.3585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 104.1725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 116.8577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 124.8090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 148.2159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 143.1925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 152.1093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 4671.5896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 152.0214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 4714.9864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 130.1604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 4680.2945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 4646.0942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 4829.0336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 96.5027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 142.5582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 4812.0544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 137.4378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 4763.6547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 4793.9312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 114.0573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 1.0965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 4107.4816 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 4611.7724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 4384.2936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 83.1052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 88.0600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 49.3226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 45.5234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 71.9754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 54.5379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 46.0653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 70.3637 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 108.6224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 131.6372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 122.7190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 63.4221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 104.5492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 77.6211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 116.1060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 82.5008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 129.4944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 80.0579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 145.3000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 4358.8636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 4647.7479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 4633.7118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 4487.1586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 4558.7009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 4676.3124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 4663.3693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 4817.3772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 4615.2717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 4612.6122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 4551.9709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 4737.6696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 4568.8107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 4705.3906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 4669.4443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 4690.1588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 4683.0487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 109.2112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 4542.4681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 4679.7797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 4469.8091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 4700.8791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 5005.6284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 145.5188 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 4179.4118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 136.2653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 126.0904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 5031.4259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 148.9448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 39.7244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 4925.6403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 5071.0356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 5241.0332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 5065.0031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 37.4602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 5317.8626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 4900.5365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 4366.5738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 5045.2636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 5759.9223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 134.3960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 4715.7464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 4786.0073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 4754.1165 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 21.7779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 173.4602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 4597.1019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 138.6214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 130.4788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 111.2145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 139.6509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 4866.8114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 82.0625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 113.3689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 126.2652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 5391.7798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 126.5407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 131.2872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 126.5987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 80.6691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 4579.6549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 4775.9599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 137.7733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 117.7522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 4882.5753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 114.6459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 4804.7020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 5053.5797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 5697.4722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 5242.1493 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 6356.8597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 5462.1275 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 100.8645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 14.9906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 30.9065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 6.0723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 91.3385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 23.7089 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 46.3788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 5052.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 133.9270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 130.2588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 23.2226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 139.2928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 5110.6519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 51.4873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 14.9257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 6008.7484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 5819.7247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 5710.8777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 5244.5878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 9.6837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 6077.5475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 5696.3491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 4741.8518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 5041.7231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 125.9928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 4649.8734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 143.6311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 4814.3959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 124.1111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 129.1650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 99.5893 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 103.2339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 85.1695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 85.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 126.3200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 122.9407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 83.2432 | Path: GPU-cuStateVec MPI-distributed (2 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 80.22s (includes QPU queue + RTT) -[LiH] Time/iter: 0.10 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 1.9065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 6131.6238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 6492.6341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 8283.4519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 8947.4517 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 8145.8672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 8970.3205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 8492.1443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 7632.7312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 9092.8834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 7238.3374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 3.5222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 7664.4954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 73.9401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 5705.5237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 8788.1417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 8462.9406 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 8139.6437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 7282.6187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 7018.2264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 121.1102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 4.3545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 6865.6341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 14.8712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 102.8265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 7741.8687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 21.8567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 6700.5173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 6913.6822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 8589.0516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 8037.1144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 7393.4554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 9350.7793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 7331.7096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 7219.4214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 77.2996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 7816.3732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 7016.8627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 9314.4564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 9260.6690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 7822.5326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 7909.7072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 39.9028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 7424.8959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 8338.7529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 7998.9245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 9313.9306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 7170.6005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 7981.6241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 7954.8093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 7852.7425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 1.8767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 6625.8996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 86.8827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 9187.9292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 8259.4234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 9292.9753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 7497.4830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 7873.8558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 8892.1218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 7437.7098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 7314.4961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 1.8845 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 6702.7628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 1.8561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 6504.5662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 7865.3455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 7372.0726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 6877.3621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 7015.7446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 8225.0053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 7386.8346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 8943.9982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 7650.6734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 9747.6933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 7884.0310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 105.5951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 7931.6265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 7834.6051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 7611.3968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 8008.1905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 9141.5982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 8024.8050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 2.0669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 6708.2451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 8195.5165 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 7233.0750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 13.3961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 7292.1197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 7117.1547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 7991.8743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 7689.6004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 7836.1639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 7202.7331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 7425.4086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 8031.4429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 7787.4365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 7557.4849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 6852.9309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 8426.2746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 8477.1814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 7172.9605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 7692.8275 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 8683.4959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 7401.8573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 7946.9922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 9186.7866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 9094.2850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 9639.8801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 9708.3539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 7692.3678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 7590.6922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 8058.8958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 7866.0503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 9192.9192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 7653.4040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 7140.5322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 1.8801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 6420.8137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 7230.4599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 5886.8397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 6760.4425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 9533.1328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 7760.6263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 7349.2583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 112.2359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 1.7574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 6139.1815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 7254.5559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 7439.6475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 8007.2692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 7464.5739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 7451.9282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 6927.6160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 1338.1277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 8453.1813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 7197.5354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 7458.1455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 9410.1212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 5.6378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 7216.7988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 7356.7216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 9362.4702 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 7922.1705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 7682.4164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 6815.0331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 7299.8635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 7382.3666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 7777.6013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 8115.9011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 9765.1614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 7585.6908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 7222.6659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 7745.4354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 8104.2690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 8932.7231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 7097.2846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 6948.8105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 8892.3153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 8897.1510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 7612.6082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 1.9483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 6720.3404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 7359.7798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 10394.1294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 7261.6425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 7870.9095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 7783.0556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 75.9241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 8383.7390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 8037.2215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 7510.4684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 8234.4120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 6439.1294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 6402.5623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 7645.6250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 7846.7447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 7589.7384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 7454.1799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 7055.1380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 7512.9975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 7143.3543 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 5111.3749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 6947.9476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 7831.2205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 7619.1207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 7418.5493 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 6830.2159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 9240.1039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 8721.5502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 9234.0035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 7138.0325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 8833.9334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 7776.7243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 8022.4112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 6919.3097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 8869.6572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 7411.2445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 8919.8106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 9567.5781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 7623.9177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 201.4615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 8740.6558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 7621.8206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 7209.0232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 72.6598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 8098.2588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 7684.1808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 8589.2956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 6808.8397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 7810.4961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 7298.8092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 7674.6198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 7018.1847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 31.6554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 7735.2187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 7556.3085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 9599.6259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 7818.1738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 8345.1914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 3.5134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 4.2650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 8947.6061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 7478.4643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 3.4306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 105.3701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 6401.6561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 7183.5103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 1.9132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 6707.1403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 7262.1707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 7101.7666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 8898.5453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 7338.8717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 8524.1423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 7315.5645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 7563.5895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 6660.4722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 6805.4959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 101.4241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 8514.5968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 7733.1224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 8021.4697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 25.5973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 9056.1207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 7512.9005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 7497.8749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 9875.6236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 8192.8551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 7424.2094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 7414.4342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 7289.1725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 3.0658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 8465.8627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 6971.9997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 1.9308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 5797.8153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 7098.1446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 6571.4248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 7688.4801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 7620.7848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 7600.8161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 7339.2015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 7525.4207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 7675.7145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 9150.1310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 7776.3593 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 7351.6547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 8220.0877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 8557.4771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 3.9262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 3.5959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 2.8541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 7241.1419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 7751.7772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 10193.4575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 9333.2991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 8401.7062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 2.0461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 5583.8966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 53.0862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 8261.6131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 1.9846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 7654.9677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 7435.0365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 7237.0724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 1.7771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 6746.6033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 8837.0535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 7509.7849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 10185.0865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 3.8119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 9731.6031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 8166.4854 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 7075.7503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 8282.7492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 7337.5549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 7858.5885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 1.6785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 6616.0876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 8940.4392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 7417.1558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 7820.2560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 8482.1728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 9006.5857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 242.2211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 7746.5787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 8755.8863 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 7363.3401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 2.9319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 6780.5047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 8402.2386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 5362.0250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 213.9235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 9045.2628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 7298.0072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 7465.5759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 8326.7362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 7236.0835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 7317.2395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 7535.9166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 9010.7091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 7258.0709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 7503.3310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 7801.7743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 6856.0390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 25.1536 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 7031.0125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 8300.0119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 7759.2672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 7933.5590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 7193.9710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 6750.6535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 6891.1626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 1.9046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 8884.8299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 120.5801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 7760.3266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 7389.7560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 8771.4455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 9028.9109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 7986.3903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 8456.2099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 7580.6218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 7616.4260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 8570.6665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 105.1009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 7680.5788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 1.9621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 6366.0518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 8119.0770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 7688.0412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 7568.3687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 6974.1866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 3.2743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 107.5675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 6844.9822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 4.1541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 8529.1778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 8013.3990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 8744.3730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 8965.8234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 8065.1896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 7083.0289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 8275.2747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 7185.6894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 8465.4321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 1.9447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 6415.0897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 7482.2960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 7923.7321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 7381.6655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 26.8685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 8713.7750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 7377.7671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 16.1634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 6880.1374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 8296.7831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 7848.4361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 7148.2944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 7561.1814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 8661.9333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 7292.1640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 8054.3740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 7381.7962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 8313.4108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 3.2382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 6515.2861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 7303.1420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 8927.9742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 7957.0413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 104.0250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 8328.8630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 7114.2116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 6965.6103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 7090.9310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 213.9057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 8042.0671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 36.2995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 7657.8987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 5785.5112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 35.9832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 7555.2762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 20.1091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 7267.2391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 62.5861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 7897.1993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 6945.3710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 8381.0255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 7674.5590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 7626.1241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 70.1495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 7883.7442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 7641.0957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 7075.5693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 7694.4587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 8130.2566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 2.2062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 6066.0142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 9043.4057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 7945.7566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 6895.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 7069.4645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 7359.5558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 7451.1243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 7926.3644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 7694.4587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 2.1742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 6661.8343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 8993.5759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 7553.3967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 7624.5261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 7328.4490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 7111.2988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 115.0301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 8754.4317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 7882.3138 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 7611.2537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 5455.3648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 7501.9904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 7435.7259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 7513.9229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 7575.5455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 8873.7875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 7744.0519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 6925.6567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 7186.2872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 20.7082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 7584.3864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 7127.5086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 7243.2231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 7188.1067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 7714.3949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 7469.8089 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 7109.4817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 8689.9793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 8966.1585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 7090.8209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 8537.1238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 8087.3685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 6292.8996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 7165.3104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 7567.3619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 7519.1356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 7203.0192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 9779.3919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 7971.4998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 7260.9201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 22.8742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 7355.2080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 8933.0043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 7314.4339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 7362.2166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 7153.1630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 8520.1419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 7555.1543 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 7316.3946 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 4.6641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 6676.4704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 7573.3734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 7914.0657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 7714.9499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 7033.7240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 7350.5121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 8952.5311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 8080.6255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 8401.2700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 8491.7462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 7591.3315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 9310.7801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 7919.8326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 4683.1400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 8572.3564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 7195.2539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 7505.7282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 8113.9696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 7155.8998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 6650.3413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 6817.0806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 8025.2376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 7959.3572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 1.8874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 6395.2263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 7458.8281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 7644.1893 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 6289.8243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 9162.7253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 10051.0694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 7702.9396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 679.4793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 7619.0349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 8105.3235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 7341.9813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 7096.8741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 7695.0159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 1.6153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 5733.7985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 6903.8866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 7178.5844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 6816.9198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 7737.5242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 7130.7771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 7631.2257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 7575.4069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 6773.3075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 8031.2494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 7496.6240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 6953.4565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 7880.1062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 92.6070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 7989.5388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 3.1467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 9052.3008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 7598.4861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 9253.7654 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 8124.3147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 8685.2206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 8297.0924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 7922.7558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 9041.1679 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 7671.3277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 7181.1867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 7860.0296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 6839.2889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 5577.5026 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 8147.2875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 7913.1235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 7347.2824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 7584.0744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 6915.8086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 7029.2382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 117.1655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 7662.5080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 8762.8364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 7149.3141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 8348.7383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 8588.7832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 7175.6335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 7988.3871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 7672.5083 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 7272.8306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 8038.0037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 2.1303 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 6393.1313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 7425.0526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 7325.9526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 7559.3953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 8114.7468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 7635.4247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 7282.7368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 8351.0516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 7630.5723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 9841.7491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 7509.7911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 8156.0211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 8215.9392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 7622.9926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 9113.3194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 9303.9739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 105.9803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 8082.5346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 9484.3972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 7972.1411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 7895.8785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 7422.4758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 7691.7988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 8291.5451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 8910.8212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 7666.8243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 7210.0364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 8197.6634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 8984.0234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 7745.2121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 7121.5512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 9384.2905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 7989.7229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 7037.0753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 6443.9261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 6204.6556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 8625.4512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 9668.4192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 7708.9933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 6986.7392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 9252.5135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 8246.1809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 8580.8162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 8100.5176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 8920.8614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 2.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 8654.4404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 2.8802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 8147.1266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 8440.6307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 8465.5850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 4.0249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 1.9186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 3.0420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 9256.1294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 55.8139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 10051.5891 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 7659.6049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 52.7097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 11178.6532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 6278.2110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 7744.3411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 8155.0177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 7990.7574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 5.5275 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 3.9041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 7052.6955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 8755.2214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 103.4951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 9492.4399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 7487.2674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 8038.5814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 7371.9116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 7533.1350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 7346.0589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 7430.9722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 7541.1002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 8028.7462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 7893.5401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 7617.3648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 7220.6361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 8590.3294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 1.6027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 5879.0643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 7031.4495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 217.9043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 7501.2489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 6578.9454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 74.5770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 7948.0929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 8970.5668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 7711.9725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 7794.5635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 7984.1410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 171.0367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 9183.8661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 7807.3440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 7576.5542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 8225.6745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 3587.8450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 7116.8880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 6660.8408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 8040.9515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 7774.4897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 7437.7961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 111.1381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 9368.8778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 7419.4601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 7560.9984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 76.2353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 9156.2201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 9333.0255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 7358.8273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 6925.1664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 84.3050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 7983.3446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 22.1986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 5059.7789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 6818.8018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 7791.8626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 1.9585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 6418.9459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 9837.8548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 7841.2350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 8889.7449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 7848.4897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 7734.2332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 9390.9698 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 8271.0055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 7605.9190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 8284.8078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 9592.0255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 8153.6098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 8125.2265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 7921.4793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 8072.6598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 7128.3611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 126.8947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 8817.3754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 7504.9438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 6474.9559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 6539.3765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 7924.1248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 9080.6588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 8177.5811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 7619.7653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 7388.0059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 8073.2610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 9374.7691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 100.5460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 6921.8882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 7590.2008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 8308.8975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 9209.7906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 8109.3376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 7771.6780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 8780.9885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 8185.5798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 1.9788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 6238.1663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 7891.6124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 7587.9461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 8925.0964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 7400.4602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 7841.8774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 8841.2333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 7602.1636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 9180.9512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 9045.6376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 7658.0391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 30.0182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 8025.6815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 9432.6146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 7996.8490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 9424.2831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 7476.0326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 7668.1500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 8381.7153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 7575.7729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 8853.0789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 7054.9051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 8873.7500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 7639.0049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 59.7013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 7585.4594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 7728.0823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 7643.7565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 8002.5152 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 7411.5969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 9181.3367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 7476.2331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 8665.8795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 8471.0279 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 6663.9749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 7694.7470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 7469.7655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 8369.5568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 7150.4405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 34.7709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 7774.5772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 7708.5923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 77.2765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 7859.2114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 8952.1340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 6894.7962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 60.1506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 7993.2710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 7951.3760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 3.0525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 7087.8852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 7636.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 8192.4191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 2.4740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 5875.7132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 7217.3038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 7542.1336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 9398.4962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 7451.8664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 7868.7402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 1.8823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 6740.5447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 73.3315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 7410.2309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 9003.8641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 7880.1599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 7331.2283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 7147.2319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 73.1057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 8408.6512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 3.5034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 8351.6128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 7624.1302 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 75.6127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 7799.6556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 8045.1976 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 8315.3508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 19.8707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 8973.6611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 7552.5209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 9562.7095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 7188.9491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 9821.1599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 7899.1573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 7329.0378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 9599.2886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 7804.8468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 5805.4852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 7959.3241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 6728.4085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 8057.1977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 6921.7126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 7303.6996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 7590.5311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 7338.6719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 7966.2595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 7964.8055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 8257.4995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 9234.9311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 8024.8607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 7665.9430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 8224.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 7284.4091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 7441.5067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 7885.4321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 7427.1368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 7795.5276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 6851.7475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 8109.5598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 9223.1090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 7202.4555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 7668.0148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 7850.4161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 7906.0940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 7047.7346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 7289.1494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 7883.3437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 7628.2754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 7853.6362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 7302.8917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 9381.9484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 8258.8824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 10056.4888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 8860.7145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 7496.3753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 8938.1930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 7330.2130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 7734.0008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 8000.3837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 158.2515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 7682.5799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 7406.2888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 2.9991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 7298.9065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 7801.7846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 7550.2611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 7322.4347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 8425.0779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 7985.9834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 9310.3656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 5262.1276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 7794.3939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 7953.7277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 6115.1818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 8500.8727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 8713.8520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 7699.3611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 7026.5117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 7678.9249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 6980.6758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 7700.9923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 7326.5016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 7182.8702 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 8562.8843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 7830.7069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 9540.2510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 8535.1000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 7713.3969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 8680.3893 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 7913.6204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 9285.4751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 7192.0672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 6919.8466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 8321.4124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 7829.9896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 7855.4627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 10128.4665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 8019.1396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 7693.0516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 7720.2097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 7065.3403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 7442.1879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 7613.0339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 10438.5680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 161.81s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.18 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 5837.5356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 7399.7273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 7634.1185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 10545.0229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 8758.4959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 94.4850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 7454.3734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 7926.3549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 8329.4063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 8071.6403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 8311.1186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 74.8207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 7769.1057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 103.8706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 8005.7047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 2.6520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 7251.7797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 8543.8999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 69.3989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 7866.9227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 71.2225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 8719.9261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 3.5825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 7686.7669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 114.7652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 7945.6263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 8242.6965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 81.4109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 9055.8745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 8715.3424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 8220.6853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 8108.8437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 8401.5420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 8528.8640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 8240.2411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 70.7812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 9184.4256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 2.2117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 8442.1847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 8622.4337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 8602.6928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 9109.3851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 8237.2821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 77.3767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 8714.0957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 9254.4045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 2.3939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 7841.5436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 3.3392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 7936.5102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 8515.8839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 8174.7244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 71.7507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 8365.7270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 76.0811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 8703.1830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 8421.2686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 8616.3045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 8576.9156 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 7757.9701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 82.0922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 7857.6448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 8427.9406 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 15.0665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 8077.7384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 8714.3785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 8965.6107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 2.5685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 2.5657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 7738.7285 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 8959.8785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 9012.3380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 2.9984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 6407.9584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 72.2249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 70.7887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 80.1630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 8470.9377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 74.1444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 7901.6865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 7994.0438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 8439.4053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 7949.2570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 8211.3266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 6529.8953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 7162.2662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 8673.1756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 7920.2368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 8454.7485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 8083.0141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 8839.9158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 76.3613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 8190.7276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 8475.8000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 8594.3671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 8724.5652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 2.6833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 7765.5975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 8929.3194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 9201.4176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 9213.9464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 30.6871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 75.9210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 9218.9715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 8328.1688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 8901.1416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 8574.9672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 8108.1201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 7847.4589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 7849.9739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 8442.9220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 8389.1381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 8590.9468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 8392.0882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 8493.8781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 9039.5184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 9587.6474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 72.3869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 72.3628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 9681.1411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 8435.5161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 72.3507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 8550.2329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 8418.6243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 8469.6420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 83.6985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 8708.5695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 76.8101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 8698.6457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 8278.6791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 76.4428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 100.8279 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 8181.1740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 69.4088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 8562.9352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 8984.5786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 73.2419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 8282.4477 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 9342.8382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 8159.4460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 9451.2173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 8119.2993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 8254.5246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 9012.7721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 8630.0481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 9166.9607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 8295.8246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 8025.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 8482.2719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 72.3051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 8060.7004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 8185.3468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 8398.3753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 8394.5990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 76.8693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 8412.4381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 8920.4069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 8741.4351 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 7921.6027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 113.1159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 8177.1718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 8468.5338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 74.7361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 9119.0962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 9036.9807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 9398.9453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 9179.9889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 8395.2868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 7884.4774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 9277.5229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 8276.0277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 74.7727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 8807.2478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 8075.3122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 8131.4604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 67.1964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 9070.2025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 9725.8317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 9205.9423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 71.5084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 9138.8232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 75.7494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 8567.9704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 8151.7266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 9526.9961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 9345.4427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 8683.2471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 7667.1300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 8852.9662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 8411.1451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 7754.5839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 10764.4225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 8998.2520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 8416.4794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 8490.3032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 8719.8786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 8096.7672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 113.3291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 9018.2431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 7944.3087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 49.2577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 8368.0044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 9217.6155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 11305.4591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 8401.9115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 9333.6635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 8593.9880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 398.1851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 8835.7881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 8878.0931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 6.3894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 7510.6568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 8067.2012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 7874.0271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 8709.2347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 8114.1236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 74.9447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 7428.3354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 7893.2007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 8871.6128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 8089.5049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 83.3159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 8277.5045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 7942.7924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 99.5376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 8652.5858 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 9623.6384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 7958.4697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 9679.8735 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 8056.0385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 8667.6396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 8258.0411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 7736.7694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 8949.1108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 8527.7942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 9459.6080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 1.6222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 3.1525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 7506.3013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 72.6655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 9566.3470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 7593.5530 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 73.4205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 8408.1197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 8054.4469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 7670.6173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 8905.7568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 5944.1068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 7714.4795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 8476.1648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 77.7950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 8257.6940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 8092.6816 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 8327.4430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 8221.5124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 8886.3217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 8236.0232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 7775.1396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 8693.8660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 8884.7971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 8803.8454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 71.5368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 8806.8439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 8280.2266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 11076.6431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 8766.3131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 9044.5177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 8463.1630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 72.9907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 8401.7264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 9317.2855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 2.5176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 7667.4925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 11165.7094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 8986.6977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 8464.1926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 12661.9628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 8150.8770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 8321.2772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 11479.0418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 106.9700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 8682.4257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 5921.9127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 8398.8033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 8790.7742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 6712.5002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 8192.3005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 8100.4588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 10358.2766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 9113.2612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 9092.5508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 8877.8431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 8023.7707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 8607.0703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 8771.6645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 8909.4220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 11660.2006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 9673.1082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 8103.1212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 320.8485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 8635.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 8179.0366 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 9132.8219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 8152.0217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 8493.8096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 8796.4450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 8463.3722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 8581.4521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 73.3122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 10389.3694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 8244.6657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 7777.7943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 8140.3183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 78.9954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 8026.2323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 10067.2362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 72.8939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 8073.4590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 70.4314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 7997.1632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 102.1767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 3691.2348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 8893.3933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 9187.1477 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 8002.8065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 8565.8612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 8210.9518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 8866.4217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 8292.6281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 74.6132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 8089.5310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 6019.4272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 8752.4645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 7794.1960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 71.2638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 7804.9723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 8715.9009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 8139.0218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 8574.6241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 8363.7519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 8309.1564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 7819.7499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 8334.0502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 7659.5487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 8992.3255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 70.7655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 7994.9428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 8282.9677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 5.4926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 7879.3387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 8971.2875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 79.9111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 1226.0411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 8379.0490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 7971.0831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 74.8668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 9581.2789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 8050.1221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 8489.1859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 8624.3596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 9725.1616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 8207.6414 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 9028.6599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 120.6191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 77.7448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 7281.6704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 8453.7055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 75.0574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 9057.2658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 30.2359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 8583.7484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 8558.3598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 8948.4596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 73.9299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 9381.9811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 8997.0137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 1.6662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 7532.4843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 8697.2579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 9386.1840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 10924.5111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 9069.2371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 76.2989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 9225.8671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 8414.2415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 9243.9259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 8158.9652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 9527.0078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 9039.7691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 8297.7409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 8638.0138 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 7687.2928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 8146.7263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 8188.8572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 79.6715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 8223.8823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 7868.9140 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 7866.0090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 8195.3806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 8268.6553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 9397.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 111.9949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 8988.3987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 71.8193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 8257.7770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 13.0160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 65.9261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 8217.0364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 8236.0982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 8391.6597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 6294.2348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 7655.3885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 7799.5350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 9874.1059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 8524.9999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 9656.2966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 72.1015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 8436.9067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 8283.1079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 8220.6238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 8405.9317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 9587.9550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 8013.2131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 8405.3759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 7582.1333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 9270.4843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 70.1491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 8176.7470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 8244.5400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 8409.9262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 8108.5111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 129.4226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 73.9252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 8132.4789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 8362.3029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 68.4142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 8989.3966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 8256.9204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 9648.3558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 9001.2583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 78.2591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 9392.2627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 8607.1109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 8008.4088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 7944.9055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 8771.8019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 8164.4001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 4.6936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 2.6643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 7858.5906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 8779.5044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 8241.7742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 11330.2146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 9493.7357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 8485.6243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 10921.3327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 8315.7465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 67.7297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 8383.1093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 8822.3884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 9157.8750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 8454.6955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 8846.5043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 9632.6767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 8563.1826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 8060.5589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 8914.4325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 8106.2338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 70.7709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 9266.4851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 8728.3560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 71.1117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 8949.2690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 9171.3535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 79.6310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 8298.3127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 11770.8631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 8596.7111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 8436.0685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 1.4218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 6791.9009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 8139.8885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 9507.3847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 8316.5634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 7980.3774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 8292.0803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 7901.5639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 8277.7464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 7990.0577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 101.0859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 8255.6183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 111.2335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 8234.4597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 8345.5558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 6607.8633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 8176.1463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 90.8665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 76.2395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 8713.1724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 10641.9068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 8158.6433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 3.5063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 7466.3703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 2.4942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 7282.1704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 7590.9126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 8008.0254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 8086.9944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 77.2513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 9123.3215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 113.7037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 8078.9390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 7914.4254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 2.9068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 7756.6881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 8370.3467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 8342.5671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 8439.0389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 11231.5330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 8490.9476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 8756.9008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 9182.0629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 8951.2878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 8522.7325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 8120.2821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 9014.1581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 8555.8437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 8327.7124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 8943.0338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 9365.1245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 8900.3161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 7375.4989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 8242.8722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 8067.1530 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 8249.4639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 8528.5395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 8494.7621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 8929.6396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 8120.3951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 98.7486 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 8524.3174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 8830.1620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 8491.3162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 8416.7401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 8357.8438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 8105.1544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 8404.6853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 8559.3430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 9113.0455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 5.2746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 10882.2884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 10731.1984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 9435.9787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 8930.9538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 8604.3724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 9647.6027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 10949.7604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 77.3345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 8416.1393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 76.4237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 7939.3591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 8831.0839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 2.9592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 95.2394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 8705.4236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 80.8131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 8557.2076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 8249.5376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 8088.7420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 117.4833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 8463.7826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 7753.5034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 8695.3629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 5765.5142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 6235.1479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 8731.9221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 11228.9556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 8749.3421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 8020.4186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 8234.8428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 8636.4785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 8123.9070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 8489.2118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 7938.3607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 9004.7489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 3231.5106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 7372.2048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 8532.6989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 8099.5328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 8200.4757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 9037.9547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 8024.9184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 115.1608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 8173.4109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 7878.7871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 9168.1436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 8459.2695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 8266.1723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 7863.7420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 2.2822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 7212.5274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 8532.5607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 7872.2880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 7823.8360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 7783.1340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 118.3968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 74.2896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 7991.2614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 8346.1952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 76.6096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 76.6952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 8597.0985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 8068.5494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 8709.5722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 7765.6747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 10026.8318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 8447.9409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 8105.5381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 8186.2137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 9127.3691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 9757.5395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 8935.6100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 9189.5371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 8110.9396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 8171.1701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 8095.1487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 80.5720 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 8158.5728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 8463.9907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 9496.8660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 8208.3907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 8024.0552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 8300.6155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 8436.6053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 2.5676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 7376.2950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 8411.0237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 105.4136 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 9056.8779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 9644.0331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 8752.8164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 8897.2976 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 8027.6533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 8698.6376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 8358.0434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 8904.5945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 8060.6693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 9401.3812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 8521.4678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 70.9901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 7637.7478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 8719.4927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 9369.6085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 9477.4774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 8129.4309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 8832.5941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 8147.7643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 7275.6450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 7354.4852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 8863.9495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 9009.1683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 9167.0950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 7804.1012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 7920.2187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 128.2811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 8405.8967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 8402.4890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 71.3389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 8225.2992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 10099.3492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 7989.4761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 7794.2231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 9080.1865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 9211.7868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 8751.4339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 75.5268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 8853.2461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 71.1950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 9068.5412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 8209.9421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 8159.1211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 72.3204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 8517.2548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 104.8109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 79.7752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 8304.5478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 8634.7456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 71.9967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 83.3051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 9600.2912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 8951.3434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 8211.4739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 75.5774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 8576.3573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 8347.4008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 99.7475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 8631.5923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 9198.0599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 8990.9021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 8497.8322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 8413.8560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 7644.7013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 8166.8614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 7393.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 8349.1477 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 9066.3472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 8132.9986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 9078.3219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 8236.1129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 74.5735 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 8039.4322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 8135.8808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 8958.6492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 8803.4124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 10017.9147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 8172.0143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 7884.2299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 7246.3698 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 8644.7091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 8128.6629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 8958.5364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 8846.9362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 72.9383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 7831.9598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 10205.3423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 76.2324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 8894.3419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 8950.1238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 1.4469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 6982.3157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 8380.4716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 8048.3569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 10520.1370 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 8724.1947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 77.9292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 7650.3526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 6882.6682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 76.5348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 7759.1375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 7780.4011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 8984.9729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 7648.0145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 73.0881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 7876.6433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 8656.3072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 8860.1597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 8276.9997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 103.7598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 8669.7564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 7881.2881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 8003.4143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 8946.6714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 97.9619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 9325.6808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 10775.5981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 8326.5339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 8209.6809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 8620.8296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 8696.9850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 8593.1005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 79.5778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 8385.3896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 10135.1615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 7825.9689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 37.4964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 8491.9242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 7359.0034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 7893.5180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 5.0612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 7642.5905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 8650.4932 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 9257.1614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 8337.8629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 8470.6274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 8164.3618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 71.2824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 8405.7682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 9162.3806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 8345.7007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 105.7541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 7200.8697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 7299.6094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 10255.1393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 8466.3731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 7760.1076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 8843.9508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 8018.9023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 7830.1755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 8098.7967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 8301.7646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 9158.6500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 8555.8681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 8014.6887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 8325.3254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 8367.6365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 75.2639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 8551.0929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 8621.6996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 8676.2840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 8267.9804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 2893.0118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 72.6873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 9222.4365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 7651.6427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 105.8456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 9218.5902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 10158.7063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 10746.2506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 8723.3149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 8161.2522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 9287.9952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 7787.4134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 76.0483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 7884.2769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 8145.7515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 8194.7336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 103.1906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 8121.4309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 8518.4506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 8740.9132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 7819.6109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 8993.3337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 7622.8742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 7522.9103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 8828.1099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 52.1783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 8451.7005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 2.5321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 3.2952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 7684.8947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 8330.1928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 8436.3958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 8958.3075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 8160.6392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 76.1875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 8852.1762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 8437.8500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 8715.1241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 8620.5031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 170.2311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 8410.5215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 8717.9252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 9218.9029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 8105.5840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 66.2563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 8119.7606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 1.8844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 6625.4833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 10213.5630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 8720.1046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 8884.7035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 7247.9965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 7886.2535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 72.0229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 8641.0230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 8748.3516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 7763.7268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 8027.7521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 7998.4791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 6673.8974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 8688.2667 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 8146.9713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 8009.0070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 8589.6811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 8464.2693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 8020.4192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 7913.9664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 8462.7502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 8120.2918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 8172.4212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 74.0547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 8122.6041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 71.6770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 8433.0253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 7908.8392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 8019.6071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 7970.5446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 8698.1045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 21.1124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 7835.8448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 7691.6681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 70.4351 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 8096.3579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 8364.7049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 8255.1669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 9097.3395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 8311.8504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 8201.4684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 8572.7810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 8669.4483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 8813.6958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 73.1774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 8550.0471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 77.2100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 7937.1718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 2.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 181.75s (includes QPU queue + RTT) -[H2O] Time/iter: 0.20 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=2 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 4948.5723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 4576.1120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 142.9418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 137.8113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 4673.6338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 126.6707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 139.3427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 138.9436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 92.3273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 117.9359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=2 T_total=1.0429 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=2, molecule=LiH) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.393333 | Delta: inf | M: 0.4878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.558221 | Delta: 1.65e-01 | M: 4098.9439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.683524 | Delta: 1.25e-01 | M: 4535.4249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.969214 | Delta: 2.86e-01 | M: 144.1340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.124101 | Delta: 1.55e-01 | M: 152.2729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.536693 | Delta: 4.13e-01 | M: 127.6000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -2.211627 | Delta: 6.75e-01 | M: 155.2016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -2.321251 | Delta: 1.10e-01 | M: 162.5575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -2.744259 | Delta: 4.23e-01 | M: 4616.6252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -3.048238 | Delta: 3.04e-01 | M: 4771.1384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=2 mol=LiH terms=631 terms/rank=316 T_total=1.4425 T/iter=0.1443 final_E=-3.048238 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 2 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 16.60 0.0830 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 80.22 0.1045 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 161.81 0.1806 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 181.75 0.2028 -[Results] Saved to results/simulator/simulator_20260416_233151.json -[ 461.24s] Log closed diff --git a/results_hpc/simulator/run_20260416_233232.log b/results_hpc/simulator/run_20260416_233232.log deleted file mode 100644 index dc498b0..0000000 --- a/results_hpc/simulator/run_20260416_233232.log +++ /dev/null @@ -1,3457 +0,0 @@ -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) available -[Stack] Initialized 1 MPI rank(s), GPU=enabled, SV_backend=GPU (cuStateVec), backend='simulator' - - ---- RUNNING CHEMISTRY TASK H2 --- -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036757 | Delta: inf | M: 11880.9387 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.034346 | Delta: 2.41e-03 | M: 5533.0887 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.041786 | Delta: 7.44e-03 | M: 6815.9537 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.022947 | Delta: 1.88e-02 | M: 7280.5078 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -0.039845 | Delta: 1.69e-02 | M: 6991.6238 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.032940 | Delta: 6.91e-03 | M: 7025.6832 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -0.038593 | Delta: 5.65e-03 | M: 7375.2753 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -0.034324 | Delta: 4.27e-03 | M: 6846.8937 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -0.038720 | Delta: 4.40e-03 | M: 7540.0607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -0.038716 | Delta: 4.22e-06 | M: 7682.0741 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.041388 | Delta: 2.67e-03 | M: 8166.7731 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0012 | Energy: -0.039931 | Delta: 1.46e-03 | M: 7907.7535 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0013 | Energy: -0.046354 | Delta: 6.42e-03 | M: 7851.7003 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 2370.2703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 8565.6179 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 8140.2962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 8493.3187 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 8287.0678 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 7792.1600 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 8422.9054 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 8290.3813 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 8220.2962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 5983.9124 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 6370.2750 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 7734.0196 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 7685.3811 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 8441.7455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 8709.6978 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 8631.3462 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 7978.4626 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 7880.7301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 8283.0673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 8082.8486 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 7972.7257 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 8185.3207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 8592.3688 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 8247.4093 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 7972.6361 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 8180.8825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 8487.8031 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 7633.5987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 7075.9627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 8346.7862 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 8177.3100 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 8148.2723 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 8136.5200 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 8318.7674 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 8313.0243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 8365.1296 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 7878.1084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 8198.5871 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 7928.0934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 8588.0061 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 8178.4002 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 8395.1964 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 8533.7791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 8307.3646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 8295.8777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 8128.0805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 8189.7456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 8312.0252 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 8589.8433 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 8148.4862 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 8156.4323 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 8174.4835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 8189.1948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 8392.7908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 7996.7688 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 7959.0360 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 8285.4325 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 8192.9290 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 8959.3125 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 8525.3033 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 8782.8544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 8204.5522 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 8200.2582 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 8678.5894 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 8367.2734 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 7734.8467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 8366.4711 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 8568.8281 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 8290.6062 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 3912.4408 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 8137.3731 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 8454.0283 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 8228.7856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 8297.5005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 8172.8237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 8622.1948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 8279.4949 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 7772.7600 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 7585.4633 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 7590.1167 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 8276.0657 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 7952.3503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 8160.2027 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 7804.4276 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 6876.5273 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 4531.5845 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 6467.2406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 7873.1158 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 8090.7386 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 3811.7207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 8301.7339 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 8562.9397 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 8356.1762 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 7906.8348 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 7731.4959 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 8170.5816 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 7858.5984 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 8385.9580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 8052.6330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 8066.1514 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 8445.8940 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 7826.9270 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 7971.6975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 8120.8296 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 8276.2564 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 7865.1245 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 8054.2525 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 8273.1020 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 8041.9419 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 8042.9441 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 8128.9495 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 8262.1337 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 8273.3674 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 7586.7476 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 7934.2041 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 8084.8139 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 7953.4184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 8057.1091 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 7846.7008 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 7992.0148 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 8113.9019 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 8495.4082 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 8155.4125 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 8006.4206 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 7996.3013 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 8524.1710 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 8236.6315 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 8136.2962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 3831.8192 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 8061.3456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 7868.6797 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 8821.9114 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 8346.7261 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 7902.8495 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 8112.7585 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 8295.9507 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 8319.7534 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 8144.3519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 8382.8411 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 8134.2947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 7471.0922 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 7870.2297 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 7390.8268 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 8037.2040 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 8155.3127 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 8460.0769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 8076.1625 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 7223.6708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 7719.4871 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 8302.0448 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 8442.3392 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 8559.1872 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 7211.9306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 7113.7869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 8121.0708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 8351.6546 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 8475.4360 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 8255.1449 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 8298.0767 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 7702.7222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 8189.7681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 8332.7387 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 8076.9307 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 8273.2450 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 8324.8815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 8348.0784 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 7910.8414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 8139.5815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 8133.5975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 8385.9974 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 7973.6172 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 8031.2930 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 8402.5384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 7904.3929 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 8079.7936 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 8109.4385 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 8598.1028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 8079.4983 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 7989.2197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 8285.5604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 8105.7324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 8176.1004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 8163.0697 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 8472.3344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 8129.0484 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 8364.6807 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 8369.1801 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 15.65s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 10791.1536 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 10622.8821 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 11205.8997 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 11620.8696 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 11272.3725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 11706.0037 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 11107.9559 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 11640.7012 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 11264.9135 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 11583.9371 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 11597.3442 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 11458.5127 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 11550.8453 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 10909.2399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 11961.2207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 12177.5716 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 11538.9987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 6183.5234 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 11035.6632 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 12058.0313 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 11687.2705 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 11546.3829 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 11373.7224 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 10978.5935 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 11498.6197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 10727.3099 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 10728.1548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 11842.0627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 4327.5213 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 12250.4021 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 12089.9774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 12759.0993 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 10763.8229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 10907.5571 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 12156.4718 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 12591.0552 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 12814.8325 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 12932.0991 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 11547.5511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 13422.1300 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 12233.8153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 12605.9708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 12831.6904 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 11601.8914 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 5448.0712 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 7075.1440 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 5435.8230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 7158.9670 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 8710.4150 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 5037.0486 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 11979.3043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 14113.3881 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 12820.6725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 11768.8892 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 12427.5960 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 12314.1144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 11633.5745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 12376.3898 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 11739.4537 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 12150.4295 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 13049.1670 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 11731.9099 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 11648.2532 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 11518.1247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 12510.3135 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 11584.1726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 9902.7523 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 9735.7661 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 11599.2011 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 12672.3884 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 12011.1962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 11771.2657 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 13289.8210 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 13500.7583 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 12172.1005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 13071.5351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 12708.7728 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 12037.4947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 11770.0898 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 12665.4664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 12269.8593 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 11996.5331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 13046.0825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 11790.7258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 14056.5986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 11712.1482 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 12141.6329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 12315.3202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 4063.7104 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 13014.3293 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 11971.0026 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 11902.5351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 12407.0567 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 11537.1172 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 11217.2928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 12162.3504 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 11484.2070 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 11853.9966 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 12187.6785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 11682.9895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 11124.9393 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 11442.1803 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 11624.5248 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 12225.1060 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 12246.4680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 11367.3340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 11575.7255 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 11690.8689 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 11270.6628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 12069.3898 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 11455.3623 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 11275.0725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 11301.9208 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 11885.2246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 11976.8626 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 12224.0699 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 11207.2577 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 11537.8114 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 11101.6779 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 11460.2865 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 11931.8205 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 11351.9217 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 12130.2460 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 12082.7458 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 12346.5435 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 10871.9386 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 11579.9752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 11507.2939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 11776.1599 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 11557.3543 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 11818.6813 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 11668.5417 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 11925.0558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 11642.3404 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 11290.3498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 11071.6056 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 11500.3589 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 11095.2541 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 11624.6019 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 11510.1470 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 11484.9908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 11197.7789 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 11529.2745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 11495.4952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 11706.7344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 11939.3987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 11591.1179 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 11426.0004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 11601.1530 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 11027.6741 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 11222.2522 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 11285.8626 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 11016.2582 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 11830.1903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 11752.2167 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 12059.1380 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 12162.8926 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 12463.5806 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 11606.1538 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 11509.6111 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 11846.5547 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 12247.8791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 11576.7812 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 11982.7104 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 11611.0480 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 11689.3044 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 11053.9602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 12088.7212 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 11557.4163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 11714.9772 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 7369.1256 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 10605.5390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 4910.2384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 5165.0354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 5767.6114 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 9650.8181 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 10669.6316 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 11265.6118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 10913.1736 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 12162.1866 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 11213.9285 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 10952.7109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 11665.8340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 11560.8391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 12264.7589 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 11481.7905 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 9321.9273 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 8438.2829 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 10288.6491 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 11296.2916 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 11491.2749 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 12136.6965 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 12219.7570 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 11382.1522 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 11872.0938 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 11874.0620 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 11825.4755 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 12575.2464 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 12012.7864 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 11974.0870 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 12434.1133 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 11541.9569 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 12065.8105 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 12341.6548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 12060.2071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 12925.6939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 11023.4063 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 11862.5185 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 11279.5593 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 11913.5029 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 12475.1647 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 11318.5685 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 11679.5471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 11849.8807 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 11951.8598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 12315.0254 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 11775.8384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 11506.1752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 11940.7805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 11748.8908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 11717.1652 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 11542.6771 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 12016.0246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 7663.0032 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 11807.2443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 11383.3035 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 11431.3855 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 12054.4425 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 11680.2395 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 12296.5274 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 12142.5302 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 12276.1216 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 11977.6373 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 11986.2607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 12214.9078 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 11959.6305 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 12033.5964 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 11934.9321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 12324.5001 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 11820.1410 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 12034.8829 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 11995.2498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 11706.0832 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 11288.1228 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 12791.1890 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 11596.9115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 11461.3945 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 11393.7281 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 11991.3614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 12222.5604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 11974.9290 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 12277.1934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 11906.8196 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 11860.5351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 11768.4454 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 11421.3200 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 11071.1580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 11946.5008 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 11925.7175 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 11577.1579 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 11541.1755 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 12127.2813 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 11543.6703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 11600.2827 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 11690.6193 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 10977.4088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 11799.1163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 12226.0975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 11572.1413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 11684.1680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 10855.7831 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 11625.0091 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 11890.9835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 11672.9057 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 12055.2607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 12311.3691 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 11272.3454 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 12112.6857 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 12087.8958 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 12544.2725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 11514.6298 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 11844.9015 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 11477.1246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 11745.1527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 11960.5006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 12014.2001 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 11316.5820 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 12030.9333 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 12295.3693 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 12256.3016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 12313.4301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 12039.8940 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 11992.6529 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 11936.9121 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 11904.6487 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 12030.9723 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 11750.8615 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 11622.7039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 11478.9608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 11538.8260 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 11952.5480 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 11902.8919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 11680.7193 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 11741.2364 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 8858.0029 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 6374.9141 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 7835.4112 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 11139.9861 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 11086.6063 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 11546.6428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 12243.3880 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 11835.3800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 11535.6170 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 11440.5116 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 12192.5244 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 11718.2852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 11462.5214 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 12380.4823 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 11772.0405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 10931.5083 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 11787.3699 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 10722.3167 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 11617.2483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 11622.0306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 11540.7183 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 12181.9390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 11884.0326 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 11408.8949 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 10875.7304 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 11874.8059 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 11398.1509 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 11702.6560 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 11686.6149 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 12058.6660 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 11675.6849 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 10916.2418 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 11388.1457 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 11702.1996 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 9007.8602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 12119.0068 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 11823.9957 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 11861.7422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 11549.2202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 12076.2332 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 12019.7072 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 12285.4986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 12216.0044 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 12497.3413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 12607.4906 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 11700.3467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 11887.6755 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 12575.3859 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 11785.2584 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 12448.8722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 11930.1218 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 11857.9283 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 11553.3828 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 11900.0937 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 12280.8237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 12156.0684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 12080.7550 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 12016.3507 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 10822.4194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 11869.8535 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 11564.8307 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 11604.5663 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 11986.6944 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 12091.8466 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 11855.2616 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 12034.3839 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 12183.4893 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 11496.9503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 11920.9012 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 11958.6360 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 12065.7736 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 12557.3726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 11904.4088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 12211.9926 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 11888.1020 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 12134.4690 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 11408.7178 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 12031.1163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 11952.9749 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 12246.2662 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 11924.5780 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 12474.8893 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 12529.0050 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 12015.4607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 10418.7887 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 11745.1110 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 11316.3299 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 12335.6533 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 11853.3579 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 11358.1483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 11708.5657 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 11049.2631 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 11496.8140 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 12570.2677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 12277.9901 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 12083.2785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 11543.2049 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 12245.6048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 11325.8503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 12078.6611 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 12079.3047 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 12186.9706 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 11011.9832 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 11777.7944 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 11584.8980 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 11905.7994 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 12762.0061 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 11547.3086 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 11878.2819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 11724.6038 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 12265.8680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 12770.8575 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 11565.5189 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 10630.7470 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 11798.6253 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 11870.3445 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 11371.8327 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 11819.6931 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 11813.5195 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 10629.6519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 8433.8855 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 11102.5176 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 10822.1106 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 12440.7725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 10798.2433 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 11908.4902 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 11623.6014 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 11623.6172 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 11870.2006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 12682.0099 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 8674.2322 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 11165.8610 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 11889.0589 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 11743.1185 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 11259.1929 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 11186.5679 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 11664.6754 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 10955.4480 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 11626.3415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 10530.4471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 11678.8301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 11873.9924 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 12219.7502 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 11864.1925 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 11965.4999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 11676.0647 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 11727.4629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 11620.8072 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 11205.2873 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 10974.5888 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 11011.0116 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 11988.9858 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 11692.9840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 12454.0785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 12407.3901 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 12478.6306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 12141.8321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 11530.4728 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 12358.9118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 12194.3194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 12356.0331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 11533.5389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 11748.7513 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 11895.2488 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 12153.4321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 10984.6922 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 11438.6536 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 11864.5160 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 11549.6670 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 11673.9105 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 11266.2002 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 11157.5002 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 12089.5835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 12224.6563 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 11229.5071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 11432.8919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 11903.0877 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 12075.1390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 11089.7768 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 11758.9915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 11361.7101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 12117.7919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 11440.2400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 11907.0712 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 11711.6170 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 11354.7677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 11128.4698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 11924.8467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 11194.3249 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 11553.5567 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 11645.2608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 12268.1311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 11565.5987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 12279.5099 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 11781.8229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 11617.1789 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 11949.9928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 11533.9447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 11539.0331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 11893.0190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 12027.5598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 11630.4256 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 11163.8868 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 11061.8237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 12047.6477 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 11844.9399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 11391.4377 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 11610.2993 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 11136.0439 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 11529.0329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 11669.7525 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 11685.3297 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 11797.1590 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 11920.0329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 11277.1608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 11309.0101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 11085.1516 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 12187.3277 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 12794.9764 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 11705.0572 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 11962.4773 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 11306.8722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 11538.5190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 11793.3673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 11934.2437 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 11705.6463 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 11608.2821 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 11852.2769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 10775.0965 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 11880.5363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 11716.0418 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 11234.9614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 11377.7709 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 11951.8212 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 10922.3333 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 11656.0255 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 11877.0068 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 10815.9912 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 11352.3240 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 11675.7748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 11643.3668 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 11695.8397 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 8855.3548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 8765.1380 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 11010.0666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 11793.8204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 10722.8737 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 12048.1903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 11870.8610 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 12060.4620 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 11510.9356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 11657.4677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 11916.0851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 11911.4625 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 10387.2037 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 13203.7708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 12129.6672 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 13190.2605 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 14463.1682 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 12369.9153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 6309.8261 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 6888.2268 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 9412.8194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 12667.7614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 14581.3490 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 12771.7544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 13671.6109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 13859.8745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 13790.8604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 13739.6511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 15529.0852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 14129.3365 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 14856.8118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 14166.1448 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 14772.7653 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 14536.0856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 13981.1905 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 13336.3004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 15423.4079 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 14066.8689 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 15939.5155 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 15355.7740 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 14808.2184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 16035.7258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 13348.0739 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 15295.3043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 13365.2371 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 13616.9101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 12737.4698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 12017.8542 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 7500.0348 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 17123.2750 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 21170.9738 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 21661.8694 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 12219.0991 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 14395.9596 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 15140.0369 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 16992.7431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 14917.6252 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 16056.0268 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 16078.8999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 19673.7700 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 14795.2764 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 14220.7721 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 11516.3902 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 12130.9630 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 11647.6669 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 12504.8549 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 11523.8396 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 12050.7390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 11753.0745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 9090.5034 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 12288.6851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 11666.9632 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 7831.5294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 12896.4749 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 11703.8903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 12275.8254 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 11882.1317 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 13659.3359 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 11502.1558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 12256.5589 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 8799.8354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 12204.6869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 12223.4141 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 11845.6123 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 12575.4777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 12983.2597 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 11968.7842 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 11958.2357 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 11609.5633 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 11135.5802 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 11635.3005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 11953.0623 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 12270.0202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 12578.7970 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 11823.6132 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 11439.4493 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 12115.8583 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 11619.7408 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 12117.2516 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 12717.8115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 11840.2661 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 11916.6774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 11719.0283 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 12294.9757 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 11724.3266 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 11723.9906 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 11759.8224 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 12157.7314 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 11571.9356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 11714.1232 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 12314.0751 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 12304.6133 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 11867.7189 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 11594.6363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 11828.0973 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 12343.4842 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 11508.8655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 11363.0622 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 8683.2770 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 10387.2222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 10898.0884 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 11968.4765 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 12145.4641 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 12151.9726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 11580.6630 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 11758.6923 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 11526.2130 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 11892.4447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 11864.5392 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 11915.9484 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 8425.5217 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 11976.2895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 12712.8143 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 12687.1896 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 12279.8599 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 12096.6602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 11609.5165 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 12727.1798 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 11770.3205 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 12069.4726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 12057.3226 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 12444.4469 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 12620.5642 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 12587.1166 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 12177.1325 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 11478.5391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 12329.5651 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 11076.6406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 11786.1830 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 12079.8527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 12266.2910 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 10646.6236 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 11629.5431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 11494.5910 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 12367.8629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 11182.0975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 12212.9591 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 11531.4294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 11738.9080 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 12036.3430 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 11556.2854 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 11555.1846 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 11768.2915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 10073.3711 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 11435.6447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 12483.9363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 12360.1333 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 11981.8877 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 11911.4528 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 12030.8800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 12308.4664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 11760.7494 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 11858.5219 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 12319.1967 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 11722.6344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 12791.6527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 12285.6216 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 13096.4538 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 11853.2058 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 13441.1828 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 11647.1367 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 11881.4011 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 11929.8672 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 11564.2229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 12541.6039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 16436.5818 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 11721.8075 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 12192.4556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 12579.1144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 12462.8139 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 12000.9012 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 12016.9390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 11917.1006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 11286.6697 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 12220.9775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 11584.9962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 11477.4875 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 12175.0799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 11968.3628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 11125.7544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 11154.1773 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 11526.0709 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 12224.7437 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 11459.8566 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 11972.4465 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 11605.7477 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 11339.1553 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 11931.6947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 11139.0820 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 11616.0558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 11385.9322 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 11311.5771 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 10894.2151 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 11588.4713 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 11186.0604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 11928.0648 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 11794.4866 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 11312.1062 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 11152.2606 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 11204.8511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 8543.0388 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 12343.8027 | Path: GPU-cuStateVec MPI-distributed (1 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 91.34s (includes QPU queue + RTT) -[LiH] Time/iter: 0.12 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 10891.8680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 10875.2042 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 9811.1109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 13351.2128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 14781.5708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 17834.5852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 18402.9125 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 18440.5207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 18461.7212 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 17534.2968 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 18012.3952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 18178.6267 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 19034.8505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 18803.0845 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 17776.7650 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 18182.0504 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 18355.1039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 13185.3560 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 6560.3774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 9305.4560 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 15332.6612 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 18033.2067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 18873.5176 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 18064.3487 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 18127.1645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 18425.5713 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 19924.7298 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 18013.2205 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 18858.3345 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 17987.7142 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 17990.4364 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 18632.2223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 18564.8442 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 18389.7955 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 18812.3824 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 18520.9661 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 18535.9034 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 19150.3650 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 18825.3934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 18893.2261 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 17938.3967 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 18391.3082 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 18853.7521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 18383.4062 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 19437.0517 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 18130.6095 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 18898.1297 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 18710.1909 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 18165.2825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 17706.9110 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 17994.3835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 17490.1355 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 17777.1306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 20085.6243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 19612.6836 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 17696.4246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 18331.0924 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 18545.0383 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 18681.7893 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 18491.9410 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 18153.3488 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 19607.0162 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 19833.8406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 19752.5068 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 18799.9115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 19621.4073 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 19305.5984 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 19404.1298 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 18886.8025 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 18332.1979 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 17722.3642 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 18335.5494 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 18352.9500 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 17723.8643 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 19525.0282 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 18574.8652 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 18818.2089 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 19125.3262 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 18810.7800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 18319.5974 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 18852.2617 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 18175.8726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 18110.9879 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 18526.5112 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 10306.4554 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 14578.1301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 18459.1647 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 17631.6197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 18474.9963 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 18222.3084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 18938.8084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 17906.3739 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 18542.7717 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 18138.8027 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 18395.5954 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 18122.7184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 18139.8299 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 18125.2137 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 19115.5923 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 20173.7241 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 17936.5705 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 19041.9943 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 17681.2019 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 11484.0847 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 13731.7896 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 17450.2435 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 17225.8492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 18595.5205 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 18738.0643 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 18324.3634 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 17847.4793 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 18988.7985 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 18311.9363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 19411.4424 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 17841.9463 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 18108.5735 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 18322.8715 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 18495.0192 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 18340.6925 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 17537.8446 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 18372.9470 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 18129.7065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 18024.2314 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 19080.7140 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 18270.9748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 17314.5368 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 18279.1195 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 18707.9961 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 18482.3918 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 18030.4430 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 17519.2254 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 17652.6893 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 18372.7501 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 18411.7968 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 18086.2514 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 18125.3781 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 17695.9577 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 18220.5939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 18414.2746 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 18193.0326 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 16704.2772 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 18479.6128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 19122.9878 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 18254.5771 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 18158.5895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 18053.9319 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 18228.2669 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 18740.2370 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 18849.9389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 18119.1796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 17789.9144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 18026.9462 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 17149.2044 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 17571.6165 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 17966.0071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 17687.7603 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 18629.4389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 19066.4329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 18590.4815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 18459.7798 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 16885.5907 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 17943.7459 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 18269.7554 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 18672.1614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 17821.6698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 18023.6211 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 18182.1849 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 18578.7071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 19247.6485 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 20769.7115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 17777.4093 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 17349.5565 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 19827.4151 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 18363.9050 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 19187.9252 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 17697.2292 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 18335.2287 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 18438.8452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 18905.2330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 18917.8601 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 18502.1460 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 18483.3026 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 18730.3108 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 14013.8897 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 15134.2822 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 17180.4211 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 18794.0505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 18715.4121 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 19041.3963 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 19131.8258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 17109.9224 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 16042.5935 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 9793.6554 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 11743.3966 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 14600.9039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 18148.0121 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 19991.2355 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 20624.9508 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 20001.4206 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 20513.2939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 20833.5498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 21102.4097 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 19765.7060 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 18736.8756 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 18928.8394 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 18684.8469 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 18923.1556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 18215.4111 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 22973.9947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 20066.1963 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 18192.9020 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 20790.3769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 19249.0528 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 18184.7794 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 19752.3556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 23414.2783 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 20597.1806 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 23629.7354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 21433.1016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 19977.3570 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 17884.3628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 21070.2088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 19565.6295 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 20484.0030 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 19596.8780 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 19688.9346 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 19279.1025 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 18164.6486 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 18992.3575 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 22252.8729 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 18117.6160 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 20276.4274 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 19529.6051 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 19012.9442 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 19378.1181 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 20458.1896 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 19377.3240 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 19371.2670 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 19040.8307 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 21019.9736 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 19246.9511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 20944.5354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 20293.7390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 19342.6412 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 18598.9032 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 18359.9564 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 18659.1684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 18512.0630 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 17968.0861 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 17881.6829 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 18617.1540 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 17793.6223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 18460.9278 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 19048.7708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 18688.9329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 18730.3476 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 18971.8734 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 18679.0886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 18932.4679 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 18649.3288 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 19348.9447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 18679.9266 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 19088.4363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 8615.1614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 13433.8948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 17141.5917 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 17915.5422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 18101.8458 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 18554.2845 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 17819.5870 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 18009.3514 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 18033.9959 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 15384.8499 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 14915.0566 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 7255.4868 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 13826.1028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 17112.4530 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 17932.6686 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 18571.6053 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 18822.0331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 18241.2513 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 19195.5791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 19006.0049 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 18307.5237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 18273.1598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 17901.1565 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 18515.4461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 18157.2607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 18482.9303 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 18031.1722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 17255.3388 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 18482.9640 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 19330.5501 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 18320.7016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 18630.4660 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 17947.1970 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 18730.4983 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 18337.2707 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 19560.1065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 17953.0279 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 17887.0293 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 17970.7436 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 18688.7515 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 18624.9065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 18689.6616 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 17590.4337 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 18613.5789 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 17455.4493 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 18068.3413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 18538.9231 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 16979.3378 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 18535.0774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 18433.0952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 18625.4660 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 18447.4161 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 17466.8074 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 18361.6757 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 18501.5823 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 18361.7527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 18818.2238 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 18484.9624 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 18647.4414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 13674.7668 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 18707.3775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 18759.5684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 17569.1412 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 17993.2787 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 18791.7510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 18381.6501 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 19609.3331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 18093.3434 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 18500.2990 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 17929.4681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 18859.7356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 19137.0318 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 18301.2239 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 18772.3908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 19015.2411 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 18895.1226 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 19096.6497 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 17969.6506 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 18979.6271 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 18655.2294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 18181.9288 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 19259.7851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 18855.4234 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 18943.1390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 19523.1680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 18989.5559 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 11575.7405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 17919.0944 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 19785.3427 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 20383.2800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 20024.3243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 18998.4790 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 18506.7363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 18983.2672 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 18911.0494 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 19936.0790 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 13157.7222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 9760.9255 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 14209.6649 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 18665.6311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 19851.3942 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 19304.6911 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 19113.6982 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 18271.7219 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 19855.6541 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 18701.5471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 19063.3368 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 19590.1776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 18358.9607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 20040.0201 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 18986.1997 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 17763.2852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 18454.7052 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 18402.9236 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 11202.8888 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 12941.9725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 17828.4452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 17557.1435 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 20075.5796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 19947.3882 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 19842.4373 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 19846.8371 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 19240.3401 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 20269.5556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 19456.9705 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 20597.5097 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 18032.8342 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 19171.4384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 18942.9414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 19999.7886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 19231.3492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 18603.0923 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 19698.8851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 19623.5800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 18312.7582 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 18821.3859 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 21477.6293 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 18095.7429 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 18941.8257 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 18288.3266 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 18159.0310 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 18740.8951 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 22278.2507 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 21389.0204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 20987.6308 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 18797.4483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 18046.6089 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 18140.1282 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 19920.6527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 19316.6997 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 19075.5268 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 19828.1509 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 17351.3754 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 20013.6748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 19366.3863 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 18042.1150 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 19712.6752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 20396.7542 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 19677.1536 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 18994.9259 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 20068.0777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 20909.8998 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 18521.2443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 18940.7175 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 19658.6250 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 18681.3877 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 20628.0705 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 18579.8791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 18856.8765 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 18378.3001 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 17822.7532 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 18964.7521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 17281.6006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 19879.9387 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 17636.4993 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 18753.6961 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 18256.2384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 18075.7416 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 19789.9445 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 17861.8481 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 18302.3749 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 11031.1769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 14478.9875 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 14780.2046 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 17801.2737 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 17306.5138 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 17334.1841 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 19009.1606 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 18283.1382 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 17705.6037 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 18043.3330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 17982.1124 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 17707.0776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 18271.6599 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 18259.0161 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 18116.8471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 17954.1190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 17218.8475 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 19423.3637 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 19501.5270 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 19465.5049 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 19879.6428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 18930.4776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 18759.1602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 17981.0745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 19313.6382 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 18966.1967 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 19063.6995 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 19367.1805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 19766.2701 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 20445.6482 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 20897.8151 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 21265.4495 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 19623.9681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 18756.6930 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 19397.1649 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 18743.3929 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 19001.5388 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 18419.1153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 20657.2854 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 10797.5059 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 12262.4502 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 21141.7337 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 19869.7606 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 18962.5869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 18612.5094 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 19740.7413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 17433.1508 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 13784.2322 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 19530.1118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 19153.9545 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 18990.8067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 19830.8101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 18780.2780 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 19398.1432 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 19173.1132 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 18077.6504 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 18227.1360 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 12907.2517 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 17075.1687 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 16557.0986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 21804.6197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 12748.0966 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 16789.5251 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 17249.1400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 17253.9918 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 19662.2081 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 18395.4468 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 17879.5698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 18605.6421 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 18712.7201 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 19327.1856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 16855.0585 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 20115.7946 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 19475.1844 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 18714.6071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 18133.6215 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 13366.8858 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 18244.0863 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 18380.5837 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 18711.5071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 19157.0027 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 9826.6645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 7025.7471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 7938.6013 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 11724.2286 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 14919.8452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 16367.4171 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 16995.4908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 18196.0064 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 17765.4371 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 18295.9427 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 18102.9498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 18151.9216 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 15171.6247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 18423.5754 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 19118.1561 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 18394.8634 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 18340.1890 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 19008.3645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 18325.7072 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 17667.2823 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 18184.1602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 18922.2088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 18375.5987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 19405.4949 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 19735.6424 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 17829.1478 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 18910.9934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 18576.8558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 18078.9195 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 17296.3501 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 17575.8947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 17814.2756 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 20024.5489 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 19123.8886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 18393.6122 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 18222.1828 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 10701.6311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 9960.0400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 14349.9136 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 16602.2959 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 17439.8493 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 21325.1092 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 18668.9017 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 20002.7293 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 19072.1384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 19355.6065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 20533.4720 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 19690.0227 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 20179.1484 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 18796.4958 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 17899.4917 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 20509.2920 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 21099.3638 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 15752.1847 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 18668.8385 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 19928.3646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 19451.6050 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 19339.6311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 17722.2415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 19979.3974 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 19645.3057 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 22824.2459 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 18098.3556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 20556.7106 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 20636.8270 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 20360.9690 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 20921.6594 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 19052.6490 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 19913.4722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 21324.4617 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 21694.0785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 20272.5413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 20056.7199 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 22826.5258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 21603.2321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 16884.6007 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 18397.0510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 23292.1422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 20929.7808 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 18898.1467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 7226.7142 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 12923.3611 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 18312.7130 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 18047.3572 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 20797.4339 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 20121.9651 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 20631.7708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 19511.2339 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 18252.7988 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 19265.6070 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 18981.8237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 19100.9207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 21048.6037 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 19270.5824 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 21750.2104 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 18849.1748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 18591.7458 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 18372.7455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 18273.9604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 18896.1377 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 18753.0279 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 17714.8857 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 17901.4550 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 19330.2116 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 19415.2422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 17634.6415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 18545.7067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 20196.7921 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 18285.4624 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 18094.3859 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 13411.4708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 18644.6478 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 18738.8606 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 19446.5556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 19367.1449 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 19429.6048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 19664.1854 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 19851.2650 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 18999.2436 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 17919.1248 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 18053.7024 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 17397.0505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 17983.1628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 18529.0393 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 17787.4447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 18293.2003 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 18813.5190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 18653.1039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 18529.6585 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 18573.6415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 18700.8176 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 17907.4357 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 18393.5107 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 17701.8476 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 18755.1220 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 19007.7647 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 18541.7897 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 18707.5622 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 18747.3483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 17826.1032 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 18144.0014 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 17603.2186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 19319.9128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 18499.3950 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 18877.3395 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 19497.5347 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 18631.0238 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 18226.7994 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 16644.9762 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 17310.9403 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 17809.6643 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 17893.5448 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 18483.3248 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 18775.3646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 19053.4722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 14886.4616 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 17363.3748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 11832.7306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 16955.4381 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 17315.8688 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 16829.9561 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 18109.8646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 18634.4456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 19095.1704 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 17708.0344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 17000.5775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 18236.0128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 19105.3664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 20002.1830 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 19134.5401 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 19683.8660 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 19018.9974 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 17917.6158 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 16999.9947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 17619.6685 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 17718.0511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 17932.5459 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 19038.4905 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 19903.9464 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 18662.7379 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 18415.8264 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 19517.5957 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 18666.5330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 19890.9751 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 20346.7886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 19039.0337 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 10860.6009 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 19557.7998 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 18835.9667 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 20111.0089 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 19885.2523 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 17604.8453 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 18740.9680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 17802.4985 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 17929.0087 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 18744.2475 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 19175.5904 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 19349.9603 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 19147.8030 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 18412.8400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 17197.7081 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 18640.7439 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 11605.3428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 13550.0567 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 15422.6809 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 16140.4248 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 18559.8416 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 19133.3999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 19615.4024 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 19635.7814 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 18350.8223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 19269.4097 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 18236.2422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 18249.9867 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 18572.8437 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 17450.1184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 18521.6739 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 18318.9088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 18000.7093 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 11214.1413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 17255.9916 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 19079.1665 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 18029.4807 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 18564.1805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 15861.1820 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 19190.4744 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 19015.0269 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 20080.7153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 18281.1035 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 19672.9016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 18220.6991 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 19873.4703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 19875.8794 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 10207.2604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 19681.5711 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 20496.6946 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 19543.8933 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 18995.4084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 18722.7697 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 19994.1741 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 18887.3836 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 19059.0466 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 18593.5656 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 11684.3230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 19230.6078 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 19883.8613 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 19414.5309 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 20185.5528 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 18652.0026 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 18365.5800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 18483.1009 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 17052.0083 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 19548.3770 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 19078.2437 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 7724.9225 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 12864.2435 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 14952.5187 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 16766.3289 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 6361.0783 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 25905.7948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 18824.8117 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 26037.0731 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 20383.4492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 26014.8846 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 19080.9641 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 8990.6461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 19401.8038 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 19207.8650 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 18725.6553 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 19131.7364 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 17754.0101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 19684.0615 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 8967.4903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 18787.5405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 17992.9391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 19318.7580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 19150.2753 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 17998.3691 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 18811.8431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 17269.9881 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 19245.2791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 8460.0391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 18758.5586 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 19821.7905 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 17942.1400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 18708.5082 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 17638.8090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 17954.8891 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 18578.1230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 17611.8108 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 17045.2184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 19143.5574 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 18780.4014 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 19715.7106 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 18633.0372 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 18757.8952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 19038.4895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 19124.7913 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 18578.2629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 19090.6940 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 19013.2675 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 18822.0111 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 20173.8799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 17888.7493 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 9816.5643 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 17252.4455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 20595.4258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 18779.3364 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 19582.8175 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 18994.3480 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 19066.1642 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 18675.1502 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 6990.5672 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 17075.9840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 18424.2854 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 18098.6194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 19467.8069 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 18094.3392 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 17997.4786 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 18850.0061 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 17966.0320 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 19008.4154 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 18974.1130 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 17286.3389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 18485.4056 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 19194.2086 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 18111.6526 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 19209.0786 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 19236.8392 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 17995.7420 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 18108.4097 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 19639.9928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 19012.5343 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 18360.9638 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 19560.0002 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 18270.6948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 18255.4627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 19181.1216 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 18853.2385 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 17453.7511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 18166.4018 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 10625.4610 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 12981.3687 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 16012.3627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 16928.2231 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 18231.9506 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 18762.8792 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 19287.1074 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 17141.4994 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 19565.7915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 12996.5588 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 20000.2562 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 17955.8277 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 18996.0459 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 19386.5600 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 18027.6048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 17860.4288 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 20245.2186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 20692.1014 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 22804.2834 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 17541.1397 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 19748.9968 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 20637.1005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 18806.5045 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 21358.4505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 24238.5977 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 22037.3549 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 21548.7885 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 19601.4006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 21452.4664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 17808.4555 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 159.25s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.18 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 13939.2839 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 18312.7825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 22019.3149 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 22460.8187 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 23760.6517 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 26735.3445 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 13244.2784 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 24131.3186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 25011.2453 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 24800.6043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 14966.8117 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 23820.4520 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 24510.7045 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 23869.9290 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 23337.2272 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 24714.5363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 23637.3996 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 23243.2069 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 23657.9455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 25137.4018 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 23123.6634 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 13599.8744 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 22478.1024 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 22481.5937 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 23242.1891 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 21843.1180 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 21760.7067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 26617.8414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 21851.2696 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 22704.7131 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 22227.4028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 20883.3150 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 22872.1673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 22460.4016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 22524.4703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 21643.5428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 12304.6659 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 11708.9443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 16309.7624 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 16764.7803 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 22292.9491 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 21949.4665 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 21868.8701 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 23406.7710 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 23547.0767 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 22669.5891 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 23221.7708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 21054.0271 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 22275.1063 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 23303.9986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 22745.9574 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 22389.7993 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 21997.5891 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 22587.1919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 23278.8195 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 23365.5478 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 23435.8869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 22673.6072 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 23266.8310 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 23494.9756 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 21995.7177 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 22553.4979 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 22999.5873 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 21821.5753 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 21577.8311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 23839.5447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 22043.0565 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 22940.9783 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 21135.5581 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 20732.9546 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 21379.2769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 21956.3299 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 21428.3278 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 22384.6310 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 21475.6247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 23687.0523 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 23294.6040 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 23323.3627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 22341.6677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 23129.9166 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 21938.2122 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 23311.5128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 22515.6391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 23606.2356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 22120.8840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 22934.7233 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 22542.6706 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 21529.1531 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 18933.2560 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 20168.2819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 21515.3379 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 21797.5718 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 21963.4294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 21838.6605 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 22281.8941 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 21439.4772 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 20289.0411 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 20791.7790 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 22036.2230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 19987.4808 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 22901.3279 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 22122.8838 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 22669.8600 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 21597.6396 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 16371.5237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 22707.7228 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 23073.4999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 21056.2807 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 20488.8555 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 21069.4387 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 22281.7029 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 21812.7543 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 22203.3947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 22643.7136 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 21787.8020 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 11363.0067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 14890.5673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 17958.4058 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 19156.4923 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 18926.0777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 21537.5223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 21350.9697 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 22152.8223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 22256.0545 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 22631.8666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 23148.9837 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 23451.8043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 22980.2983 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 22374.6865 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 22528.6194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 23079.8024 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 22549.9706 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 22515.1815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 24291.7617 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 22789.4661 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 23645.9090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 22891.8404 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 22679.6281 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 21893.3708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 21729.4578 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 23220.2344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 22611.0521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 22196.7707 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 22815.3417 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 22126.2573 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 23279.4302 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 22470.6163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 22127.4070 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 22661.1354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 22861.0511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 21938.8281 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 23119.1439 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 23082.7262 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 20973.9084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 22152.2521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 21869.1262 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 21836.5586 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 22286.0569 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 21651.7443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 21275.9357 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 23068.6079 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 22988.6520 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 23280.5796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 22840.3413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 22419.3510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 22359.8311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 22247.0953 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 21636.9524 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 22781.4342 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 21663.6323 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 22573.5176 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 21023.7351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 23125.2676 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 21251.4899 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 22628.9330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 22782.0662 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 21608.7955 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 16871.6694 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 18637.0934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 20064.2115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 21412.0481 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 21465.3411 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 22228.9450 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 21808.7134 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 21823.5887 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 22721.1336 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 23260.3519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 22342.5032 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 23119.1056 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 22379.2127 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 23238.2425 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 11149.0181 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 12053.5204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 15485.8145 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 17523.7659 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 20159.3873 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 21218.5882 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 21632.8100 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 22488.7962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 21873.4900 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 23024.5089 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 21830.1483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 20977.5719 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 22154.6949 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 21886.3655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 22838.5856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 22632.8826 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 22441.5280 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 16968.8666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 23495.5003 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 21787.9638 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 22114.2978 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 22609.2267 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 21645.8915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 22867.8170 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 20867.1561 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 21736.6740 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 23703.1382 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 23147.2236 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 23159.0368 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 23649.8245 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 23087.2090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 22474.2503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 21539.3412 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 21467.4580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 22585.5533 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 21632.0692 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 22558.2197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 22551.6206 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 22092.0431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 23362.4006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 22468.1762 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 22509.2539 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 23311.5675 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 22194.7795 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 22704.2684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 22346.9191 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 21752.3405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 22234.9655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 21905.3671 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 22056.6614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 21030.6680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 22678.1457 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 22486.4952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 22603.7111 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 22535.4598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 23088.3910 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 22816.8488 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 22997.3995 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 22612.9017 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 22654.4118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 23047.0041 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 22726.1117 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 22173.4065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 22498.3107 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 22896.9897 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 23199.8734 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 22201.6669 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 23386.1300 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 21495.1454 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 21852.0544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 21112.4428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 22435.2722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 23121.0928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 22604.7567 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 22475.9406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 20924.4321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 21818.3727 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 11341.1505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 10738.5352 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 26053.8269 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 30898.3261 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 25375.1961 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 29181.3733 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 29196.5761 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 27666.9489 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 29130.3083 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 27038.3903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 29149.2876 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 25523.2382 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 28850.9921 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 27055.6803 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 23339.7573 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 22829.7094 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 28380.5825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 24403.4117 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 22346.1431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 26305.1347 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 33180.4822 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 30249.7345 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 27012.3488 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 30631.6005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 27902.1324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 35218.1713 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 24393.5865 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 29031.2243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 32489.7085 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 25651.5752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 25949.0542 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 20412.7183 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 25728.1334 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 22005.1100 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 23991.3551 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 27588.6341 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 23589.8050 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 23850.7381 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 22429.1878 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 20990.5858 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 22850.7845 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 22178.9196 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 22999.6043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 24819.6249 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 22762.4583 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 22913.7701 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 18119.5348 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 21415.0275 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 22525.8786 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 14258.4975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 22322.8826 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 21454.8571 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 20586.0321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 19925.4970 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 21757.4586 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 21201.1628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 21430.7852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 22225.4066 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 21091.9103 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 21776.8108 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 23346.4070 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 23368.8340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 23706.0668 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 23000.8659 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 22820.2573 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 22757.7853 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 23295.9823 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 23843.7739 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 23543.0937 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 22504.9591 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 21445.4417 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 21231.2389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 22514.8383 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 22367.4467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 22115.1518 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 11254.6785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 10460.0548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 13986.0365 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 18834.7580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 19046.2651 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 19686.5247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 21456.7214 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 22795.9653 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 21710.7342 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 21893.8431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 20004.1463 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 22086.2467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 22603.3568 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 21596.4136 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 21577.1229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 21072.4955 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 22367.8603 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 22250.2074 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 21989.5157 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 22614.4741 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 21158.3145 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 22831.8906 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 21190.3008 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 20300.8109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 21400.9789 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 21834.4935 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 22591.7256 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 22846.8479 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 22778.2651 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 21917.0483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 22588.1094 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 23378.4540 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 22378.6928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 21389.7684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 20667.5750 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 22588.6957 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 22090.7959 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 22093.8453 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 22989.8287 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 23448.1814 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 23160.1321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 21920.6048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 23414.9362 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 21907.7295 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 21955.7001 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 22442.0490 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 23400.4023 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 22634.0815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 21847.6325 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 22048.6917 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 22323.8202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 21923.2628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 22209.6391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 21026.1920 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 23333.4263 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 23164.7521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 21853.2128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 23650.9215 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 22709.0324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 22665.8796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 21835.3603 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 21983.9391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 21665.9497 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 21506.4316 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 22667.0761 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 21356.0186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 21876.2343 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 22339.0690 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 21981.2368 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 22503.6574 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 22162.4664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 21574.8624 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 19569.3494 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 20627.6399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 22223.7733 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 21844.8958 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 20959.5920 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 11113.0491 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 9051.7584 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 12683.0482 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 14211.3931 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 18024.0324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 20468.5558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 21523.6394 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 21245.9713 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 22374.3263 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 21634.2292 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 21217.1048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 22090.4447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 21902.2804 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 21249.5173 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 21378.4303 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 21504.2041 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 22377.1625 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 22248.2455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 21958.4324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 21891.0157 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 22069.2430 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 18148.0204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 19207.0677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 17353.8135 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 21151.2183 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 20446.3497 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 21150.9837 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 21020.2715 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 21041.3801 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 21059.6833 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 21532.9943 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 20030.1799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 19524.3594 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 19116.7224 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 20012.9363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 20965.6222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 20800.3031 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 20861.5787 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 21796.4744 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 21590.4761 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 21279.3452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 20985.5428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 19990.5598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 20443.8444 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 21317.8709 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 22374.6376 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 20967.8215 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 20882.9597 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 20542.9354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 20462.8831 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 20513.0955 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 21085.5007 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 21204.9768 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 21993.8657 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 21845.6240 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 23505.8729 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 21888.4210 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 22854.2819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 22995.4816 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 21114.4510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 20428.4456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 15552.8655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 20322.1244 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 22481.1725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 23024.8844 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 24022.4441 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 23231.8799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 22458.1080 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 21717.5410 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 19861.6039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 21833.7840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 22267.2278 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 22776.2497 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 21840.2212 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 22987.4210 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 11607.3987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 5670.2346 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 18055.3253 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 20048.2769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 21585.2986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 20877.7701 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 21771.7695 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 21847.7775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 22033.8226 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 20384.2298 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 22236.7018 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 20633.7138 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 20793.3061 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 22499.9434 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 22963.9802 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 22560.1856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 21550.7805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 22049.9668 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 22809.2998 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 23032.1475 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 22417.7681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 22243.5461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 22743.2252 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 22520.3012 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 22485.1122 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 21971.9144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 21478.4692 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 22278.1399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 21891.1522 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 22623.6372 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 21515.6255 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 21335.0652 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 21484.3566 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 22728.4052 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 22690.6519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 22840.8179 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 22391.9093 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 22336.3646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 22496.8144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 21469.0784 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 22426.2312 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 22691.4811 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 21653.7509 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 21585.3971 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 21919.1985 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 22011.5666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 14990.9403 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 22415.5318 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 22294.9936 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 22947.7633 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 20050.3110 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 21791.7676 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 22173.2079 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 22731.6276 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 23319.8665 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 22443.0491 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 23064.1588 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 23283.4666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 26071.1209 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 28511.2796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 30432.5619 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 28178.8736 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 30342.5847 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 22137.5109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 23070.1707 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 24348.9725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 24046.3489 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 25677.3984 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 26441.5712 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 25208.4886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 23161.2608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 25337.1737 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 23736.3577 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 23696.9790 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 22225.9645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 21980.7090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 23543.0737 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 11209.0278 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 11334.7637 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 14502.0401 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 19763.4441 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 21730.3004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 23120.7426 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 22298.7554 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 22701.3145 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 23307.4629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 22447.2121 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 17914.8740 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 19088.4492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 21191.1185 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 22076.7658 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 22698.5350 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 23499.3333 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 23241.6330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 22402.4377 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 22964.0926 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 22980.8306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 20633.4569 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 22130.1886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 22104.9852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 22358.1562 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 23000.5259 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 21808.7819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 15574.6846 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 21344.5805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 22569.1770 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 22344.3979 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 21405.0241 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 21961.6009 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 21666.5446 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 22160.5910 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 21455.8230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 15398.3512 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 20703.2939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 21139.1698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 20967.5201 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 21400.7529 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 22099.9951 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 21891.4801 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 21280.3482 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 21792.9709 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 23093.9932 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 22161.5503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 22393.5627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 21810.6986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 21995.2011 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 22680.8861 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 23224.9999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 22681.7275 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 23269.5028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 23022.6383 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 22762.1486 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 22837.4490 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 23689.2935 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 20589.9777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 21236.7676 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 21685.2852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 21788.1217 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 21244.4801 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 22794.9409 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 22088.0774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 22155.2452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 21363.4106 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 21386.4456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 21210.5146 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 22609.0866 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 22776.8060 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 22284.7345 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 22294.9938 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 22879.8673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 22533.3137 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 22829.4964 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 11387.8409 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 11183.9030 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 13147.2880 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 18857.7870 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 19308.6004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 18576.2219 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 21223.1988 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 21329.6919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 21647.3872 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 21222.3264 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 22135.1681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 21284.6438 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 22852.3429 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 21752.5775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 22430.1190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 22771.2922 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 22565.5979 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 21656.7108 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 22132.3947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 22745.3041 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 21378.5707 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 21997.7116 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 21816.8681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 21826.2835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 22046.3512 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 21750.5443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 21377.0202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 21953.4258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 21251.8777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 16787.5851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 22073.8555 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 21847.9578 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 21504.4492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 21770.0243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 21801.8731 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 22487.8464 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 21641.3042 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 22458.1887 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 22015.4728 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 21840.6367 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 18540.3748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 17423.1507 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 17326.6429 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 16966.4246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 22398.5096 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 19233.8898 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 22902.2069 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 23113.1076 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 22481.4629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 21785.6867 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 22692.1989 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 22522.8028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 22558.0919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 22115.0617 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 20646.8307 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 21958.2019 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 22213.5950 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 22023.2344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 21753.4396 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 22829.1853 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 22673.5816 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 21835.8400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 22241.1199 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 21863.9054 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 22467.0000 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 22178.0765 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 21969.7057 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 22357.9193 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 22838.2245 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 21100.7036 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 22469.5953 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 22125.4797 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 20021.3388 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 22180.5498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 22133.1192 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 15371.9915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 20997.7521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 11364.2851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 12179.0450 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 13884.5056 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 16156.4296 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 18986.5840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 20785.3222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 23214.4343 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 22921.8458 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 22140.8819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 23168.9811 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 22554.5341 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 21702.7627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 19691.7161 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 22308.8613 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 21552.8612 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 22417.7229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 22501.4564 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 23050.1466 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 22896.4222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 23348.9189 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 22330.3066 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 23306.3425 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 23087.0405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 22703.9545 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 22006.3399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 22080.1153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 22384.1406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 15834.0247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 16618.6846 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 23173.2101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 23310.9246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 22258.2881 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 23033.2152 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 22843.0178 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 23423.5063 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 22162.5470 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 21892.4796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 23066.8025 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 22162.2297 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 22849.6550 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 21926.0022 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 22111.9335 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 22558.1101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 22697.7777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 22154.9319 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 21617.6294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 23254.0406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 21732.5405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 22753.4266 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 20911.5478 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 21284.7677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 22111.2328 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 21698.4186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 20801.6874 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 23306.0608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 22449.8415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 14667.7011 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 13822.2095 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 19709.6799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 21010.3667 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 21423.9148 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 22808.0547 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 23313.8944 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 22875.9861 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 21824.5783 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 21668.7864 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 22714.8017 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 23014.6594 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 22847.8324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 22284.2280 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 22140.7320 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 23707.2965 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 22719.6952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 21437.9308 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 22199.6351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 11250.3874 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 13021.2455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 14929.1819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 15755.3827 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 18664.7158 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 19533.5150 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 20722.4215 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 21379.2532 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 20694.6152 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 22952.1948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 25029.2059 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 26928.9933 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 20658.5576 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 21754.0519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 21648.9414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 21814.7346 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 22885.9658 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 22484.1510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 22631.7510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 22411.5492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 22153.1577 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 21964.3267 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 22052.0423 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 22034.9313 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 22288.4400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 22859.3544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 21887.8264 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 23117.5715 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 22341.8440 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 21432.1385 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 22481.7766 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 21993.0287 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 15922.4984 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 17647.8356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 18580.6776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 18853.2057 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 22481.4035 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 22610.9775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 21835.9452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 22296.4185 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 21743.1877 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 21818.5130 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 21164.7792 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 21963.2729 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 26682.7006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 20604.6203 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 22362.8276 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 23127.4922 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 22899.6726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 22468.9645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 23017.1855 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 22923.2340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 23024.8417 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 22463.4180 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 21956.0695 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 21798.0301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 22440.7869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 22602.3688 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 22556.1849 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 23108.8326 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 21770.7702 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 23371.5752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 22365.8204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 23462.2273 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 22306.4067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 12573.1068 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 22777.4895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 23019.4199 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 15742.0595 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 18638.2223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 19707.1234 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 21382.3804 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 20596.4639 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 21437.0232 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 21839.6915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 22646.2114 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 21080.2461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 11299.4518 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 10979.1703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 10170.2118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 16430.5703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 21786.3391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 21429.4280 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 21750.3914 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 21986.3665 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 21135.4609 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 22058.4941 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 21599.7907 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 18280.0865 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 21083.4151 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 21214.8826 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 21662.3461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 20737.2548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 20964.2460 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 20417.3815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 22462.5869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 21233.8655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 191.32s (includes QPU queue + RTT) -[H2O] Time/iter: 0.21 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=1 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 7422.3776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 6025.5250 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 9332.8198 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 9678.9353 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 10676.8090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 9978.3383 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 11796.0781 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 11514.1340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 11346.2986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 11417.1413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=1 T_total=1.1393 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=1, molecule=H2) -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.034744 | Delta: inf | M: 6936.2163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.035159 | Delta: 4.15e-04 | M: 7439.5350 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.045020 | Delta: 9.86e-03 | M: 8075.2718 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.051772 | Delta: 6.75e-03 | M: 7800.8468 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -0.048332 | Delta: 3.44e-03 | M: 7671.2531 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.051608 | Delta: 3.28e-03 | M: 7539.5530 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -0.073611 | Delta: 2.20e-02 | M: 8064.5655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -0.066337 | Delta: 7.27e-03 | M: 8069.6642 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -0.069598 | Delta: 3.26e-03 | M: 8205.5803 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -0.070958 | Delta: 1.36e-03 | M: 8307.8398 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=1 mol=H2 terms=15 terms/rank=15 T_total=0.7353 T/iter=0.0735 final_E=-0.070958 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 1 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 15.65 0.0783 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 91.34 0.1189 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 159.25 0.1777 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 191.32 0.2135 -[Results] Saved to results/simulator/simulator_20260416_234018.json -[ 466.00s] Log closed diff --git a/results_hpc/simulator/run_20260416_234032.log b/results_hpc/simulator/run_20260416_234032.log deleted file mode 100644 index b4a9cb9..0000000 --- a/results_hpc/simulator/run_20260416_234032.log +++ /dev/null @@ -1,3459 +0,0 @@ -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[ 457.42s] Log closed -h: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 2745.5410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 12.3365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 32.4586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 28.7712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 41.3773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 39.5162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 35.0221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 37.4847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 30.0699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 0.8351 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 3802.9801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 20.9396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 36.4345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 53.5607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 34.6084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 39.1453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 42.1480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 36.4115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 51.7004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 43.1160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 54.5417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 53.3762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 43.5117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 37.8348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 53.4020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 71.4036 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 42.4658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 49.4439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 45.5836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 45.5247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 46.7053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 37.5128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 35.8853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 44.1474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 53.4523 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 37.2940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 41.9626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 41.7416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 42.5749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 38.5166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 38.8522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 55.3087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 34.7227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 33.4354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 31.6111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 44.4105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 42.4225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 41.0051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 47.4052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 39.0101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 48.5898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 39.1666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 44.7023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 49.5757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 45.5701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 39.2807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 44.4404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 39.8548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 36.1268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 38.6139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 50.0665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 69.1358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 50.0949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 39.1896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 57.8812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 279.4806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 229.9000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 222.6661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 336.4312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 232.8163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 356.8877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 252.2273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 3774.7927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 3740.2130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 3810.8613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 339.5625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 3386.9467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 342.4611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 361.2167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 468.3801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 3774.1006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 3797.4375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 501.7986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 3928.5892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 228.3724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 467.0832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 476.6713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 3859.7166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 3980.0226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 3830.5546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 3858.0292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 3776.1354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 3857.9963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 3640.5052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 104.6018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 124.0986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 172.5342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 88.3462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 57.5866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 78.5297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 71.2825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 61.0292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 104.9415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 86.0630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 69.5093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 70.1300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 176.3665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 87.9972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 109.5423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 65.6659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 107.7447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 100.5699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 156.2979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 167.5920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 14.7214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 2281.6113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 86.6733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 81.9622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 109.6551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 82.7457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 171.7093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 85.1758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 112.3902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 82.4934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 143.9010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 111.7305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 121.9295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 146.9421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 79.2769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 100.7146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 60.7889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 72.3852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 66.4848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 69.7159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 45.5663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 38.9099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 40.0526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 40.1410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 36.7216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 43.7483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 61.4107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 68.3313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 70.5703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 57.5804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 51.7242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 33.3239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 39.5853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 33.3728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 36.4528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 0.6979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 3380.1316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 43.6626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 58.5010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 4441.5791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 17.5387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 38.9299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 33.6033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 41.1281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 56.1274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 61.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 117.2539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 106.3307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 182.6643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 98.7864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 80.0531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 53.6214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 56.8531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 45.1697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 60.3045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 44.6172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 55.8760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 34.4050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 53.7820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 51.9642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 43.7292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 39.6937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 49.5585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 52.3230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 47.4214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 34.7267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 47.6271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 60.4753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 52.0791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 62.5042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 47.6417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 93.7765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 77.8323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 15.68s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 0.2961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 151.8051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 129.9224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 111.8508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 83.3595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 139.5364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 104.4321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 138.6095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 160.1686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 157.7497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 169.7875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 140.0819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 134.8539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 4892.8847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 136.4073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 188.2895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 175.1684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 159.8157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 5001.0821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 149.7254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 140.9868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 136.3989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 123.6950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 134.1674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 2915.4305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 94.7277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 67.5060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 67.7927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 65.6014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 96.6748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 12.8419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 53.2124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 51.0073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 57.3563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 63.7106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 69.4857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 88.0177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 67.6439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 73.9684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 79.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 45.1250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 59.5872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 63.8332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 65.9409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 59.9457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 64.0465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 62.2473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 70.7837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 87.3883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 56.7567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 55.1168 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 63.8359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 72.7040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 67.3665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 52.0329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 48.1221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 56.4783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 39.0057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 56.2053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 65.4878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 47.0052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 50.8706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 58.6557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 53.2886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 126.8527 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 47.8848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 60.6041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 61.1313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 63.5277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 34.4080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 46.2793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 49.1797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 49.0473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 47.2834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 52.2009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 41.2090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 80.0825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 138.5099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 72.0320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 104.4055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 67.5999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 136.3523 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 0.9483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 4798.2802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 64.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 44.5575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 32.8166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 70.2445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 50.8295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 4690.4521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 25.1786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 53.4128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 55.4081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 62.7183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 80.8855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 49.5582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 60.1764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 54.7520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 71.2977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 63.0784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 68.5154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 64.4208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 59.8178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 41.8450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 224.0818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 89.0805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 81.0428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 84.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 140.4852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 86.0202 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 103.4983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 102.9819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 80.4645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 94.8000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 118.4424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 99.2504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 97.6529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 14.0775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 141.5121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 68.1510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 103.6764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 101.6137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 103.5444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 125.2701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 7337.2140 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 71.9752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 73.7076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 119.9264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 121.0848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 122.7059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 137.8775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 143.0867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 105.6212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 91.5213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 110.7145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 73.4469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 81.0833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 104.6257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 127.0457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 99.1004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 82.2205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 115.3710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 87.7540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 52.6567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 67.4929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 61.1251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 65.1906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 77.9476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 74.7453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 75.9006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 85.7015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 2895.3644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 110.5767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 67.0500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 51.6890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 50.4579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 65.8801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 85.2153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 72.9967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 69.2503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 74.4373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 88.2367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 79.1842 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 80.2696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 61.8862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 49.1940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 79.7324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 60.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 62.6481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 48.7483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 71.7749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 135.3498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 138.0421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 159.0494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 113.4937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 124.6653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 124.6499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 5027.6306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 123.9007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 5022.4713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 109.6417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 4920.3303 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 4867.7150 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 156.2553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 165.8900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 4857.0977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 4960.3822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 4721.8539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 146.7797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 4870.3007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 5020.2600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 5073.6090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 125.1875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 5171.0699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 120.0108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 4976.2706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 5010.9298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 127.0198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 4407.8533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 4865.4638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 119.2293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 4881.5752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 103.3568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 148.5898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 4984.3587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 169.5114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 178.6276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 113.3875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 148.0884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 119.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 165.2388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 186.6450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 172.5681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 114.1651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 130.6464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 124.6441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 135.7074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 175.1323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 127.7343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 200.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 132.6588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 140.1514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 0.9141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 4569.5688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 139.3237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 147.4004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 85.1203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 83.7207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 96.3474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 85.3592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 175.1906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 88.7173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 5476.0011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 44.5199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 93.1736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 82.0079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 127.3177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 173.2635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 188.7798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 160.7164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 166.6892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 167.1017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 5037.2933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 4909.7482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 4433.5367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 145.2082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 148.7369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 187.8028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 4981.5920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 5039.4888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 151.3849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 4672.8195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 148.2803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 4819.5167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 4848.6889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 126.7935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 143.1007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 125.2151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 145.4049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 124.7250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 4553.8824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 125.8117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 144.3613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 138.2897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 122.3505 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 116.9185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 124.6312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 111.6552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 74.2674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 109.9478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 124.0426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 128.6236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 72.9568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 80.4075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 105.5308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 67.8441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 69.8375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 75.8344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 101.7673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 84.5258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 54.3326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 71.8966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 86.4136 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 141.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 170.0883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 104.1883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 141.6969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 113.6889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 164.5661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 160.0187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 169.7949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 136.5654 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 151.7282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 136.1636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 135.8363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 137.8438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 4763.4385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 142.6921 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 62.0234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 50.5315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 49.5844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 41.3072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 56.3983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 51.6633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 42.9570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 43.2205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 36.1703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 42.1191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 47.3791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 45.0785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 42.3327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 50.2550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 41.0808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 47.5793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 53.8631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 51.5724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 48.0956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 47.2215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 42.5538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 47.4513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 40.8247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 42.1874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 48.3149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 44.3601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 47.7012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 40.7697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 37.9344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 46.0422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 42.3674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 46.1179 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 54.5097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 63.4181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 78.3847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 47.7495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 54.0948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 45.1453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 35.2076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 40.4680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 48.0660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 60.2667 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 107.3699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 134.6222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 144.8447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 84.4235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 98.7831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 71.3799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 4833.6003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 83.5948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 117.7216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 193.5483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 147.0908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 4864.1205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 122.0434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 97.5665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 78.2401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 85.4827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 74.8270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 66.2409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 48.1641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 85.3288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 79.0245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 125.5472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 0.9989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 4610.6899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 80.4478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 70.7513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 71.3082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 70.8254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 63.4928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 80.4180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 91.7866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 62.7032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 75.1529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 90.3287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 147.9775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 5741.6215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 54.0675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 84.0508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 84.0644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 4954.2441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 97.8753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 69.2481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 62.1848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 70.2002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 62.1648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 78.7895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 98.8883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 65.4453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 71.8423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 57.2576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 104.9213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 87.4324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 94.8077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 168.1559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 141.4936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 82.2052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 93.3409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 114.8853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 77.1506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 64.4836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 133.6562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 79.4795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 149.8361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 132.1431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 159.4038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 138.6496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 4744.7382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 107.8540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 184.8948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 135.0157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 70.7987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 93.9208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 87.5000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 57.9464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 128.3010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 137.9252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 4943.9472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 83.8053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 93.5863 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 130.1891 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 149.6460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 128.3388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 153.7771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 4790.5156 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 159.6148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 175.1063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 177.4632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 4970.4956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 76.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 4516.4101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 130.2778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 98.0652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 143.1725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 4856.0585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 122.7199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 142.3397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 135.1890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 4934.3604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 140.5460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 4786.2482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 131.3873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 128.7192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 117.1473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 150.2124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 156.4250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 124.5602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 5040.6247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 135.1207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 108.6207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 158.1495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 120.7656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 165.6355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 5038.6342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 130.7000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 155.7663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 122.7722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 171.7538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 158.0336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 4884.6693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 155.3512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 4813.5908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 5024.6600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 145.6021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 174.4843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 62.8952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 64.3385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 65.4608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 70.9968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 62.3791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 111.3003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 65.3703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 82.5074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 102.5097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 99.6276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 90.9970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 72.8711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 76.6642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 61.7616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 88.2011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 126.1204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 143.9064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 125.6470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 97.8657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 136.2955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 97.3528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 90.1229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 132.9951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 129.6167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 74.8387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 113.5273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 74.0907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 85.3007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 4916.2604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 5048.5914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 4884.9264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 164.1754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 4943.8337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 4944.5982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 123.3787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 165.3169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 124.6460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 152.9064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 1.0900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 161.6509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 69.9747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 97.2752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 70.9077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 44.7301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 70.0247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 90.4300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 91.2412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 65.9560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 77.9959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 93.4098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 59.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 58.6459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 82.0387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 65.8768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 5041.7998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 34.3865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 83.3947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 82.5269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 136.4433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 129.1023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 76.0009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 142.6491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 154.4148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 100.7039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 101.0986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 82.5773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 77.5109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 165.0532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 158.0460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 187.5922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 134.6218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 227.4246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 4830.2199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 4951.2729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 196.1274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 153.7218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 4541.5541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 120.7560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 109.3677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 163.2815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 146.0060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 4865.3618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 4796.0205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 115.0701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 4989.2997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 4922.5310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 155.7582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 4877.8407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 4925.5345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 142.8460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 165.5280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 66.5394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 95.4095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 72.1763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 65.0622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 58.9954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 49.7534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 80.8501 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 55.5485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 68.7913 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 57.8941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 50.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 68.7931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 53.8942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 66.7436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 70.0433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 69.4059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 45.7057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 80.4260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 63.4597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 53.6819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 60.9090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 96.0384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 85.9916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 65.1262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 77.9449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 52.7388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 66.0662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 138.7958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 155.2867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 128.1407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 109.6178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 97.7753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 81.8684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 68.4593 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 97.2813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 86.9971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 73.0878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 56.4006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 72.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 81.3821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 82.6483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 37.4970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 79.1377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 97.0499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 133.3040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 140.2749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 106.3896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 142.0796 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 90.3147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 101.9360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 154.7930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 97.8651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 131.6287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 126.7154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 124.4905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 136.5357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 95.4828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 107.5666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 97.3488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 133.4281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 167.4201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 121.8288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 75.4563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 117.8193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 111.6488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 111.2606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 231.9492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 101.8655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 74.4312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 95.7014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 100.9809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 123.0542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 88.1634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 71.7555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 92.1174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 141.1204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 86.5384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 76.2099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 72.6993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 74.3715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 84.7491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 133.5669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 91.1975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 158.3038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 134.3005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 121.7611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 81.0691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 1.0768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 4314.8670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 109.5143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 95.8568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 54.7131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 77.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 139.0435 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 92.2537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 131.2413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 65.9763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 59.9193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 68.6446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 48.8364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 73.1968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 160.2810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 148.2358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 111.2835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 154.6201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 131.6295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 4241.0172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 35.3547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 85.3999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 115.1245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 100.4151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 74.0954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 116.8215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 59.8157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 95.1675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 152.8383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 149.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 134.0914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 4939.3025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 4806.2238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 4739.0859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 4973.2166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 141.7358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 152.9013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 166.9664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 193.9375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 155.9169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 4672.6206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 164.2567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 4841.5064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 5050.7641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 139.6673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 141.5761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 4943.8128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 159.8242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 4795.8768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 177.2730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 194.0684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 4704.4243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 162.5761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 156.0331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 74.6240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 96.1457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 89.1125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 78.7443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 85.9384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 188.3294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 173.0933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 5160.4119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 149.7322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 4842.0195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 84.3319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 94.4766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 66.0675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 139.1185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 122.2399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 92.9899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 87.6771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 175.4521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 108.8055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 75.2888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 63.6186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 63.0270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 84.9071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 70.7922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 50.7674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 93.1380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 51.8696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 85.5269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 81.2254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 74.4808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 69.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 90.9963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 126.2181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 13.9510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 7.9144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 5.6514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 25.8946 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 36.5410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 6793.5789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 6302.5044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 5887.9789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 5965.8038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 6.2953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 5933.6677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 6599.0851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 106.5857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 117.9403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 96.2051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 100.4779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 94.2141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 123.0972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 118.5941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 135.6678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 104.8383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 62.4167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 101.7078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 100.3952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 91.5713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 58.9079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 122.9515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 84.4661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 78.9990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 123.8439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 93.7272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 113.6720 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 73.5669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 110.4834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 80.2066 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 65.9391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 77.3949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 133.4254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 90.3122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 79.22s (includes QPU queue + RTT) -[LiH] Time/iter: 0.10 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 1.8352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 7626.2746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 75.6510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 233.8701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 9784.5799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 8161.9518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 7501.1623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 7201.1571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 5810.2311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 6037.7604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 8677.8621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 7751.8059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 9478.1779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 9931.1594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 8644.4870 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 8932.6308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 9777.1078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 9022.4869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 7564.4694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 7518.1020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 8029.2110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 9530.7689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 8883.9814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 8076.7716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 7326.1242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 8999.5722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 7483.9122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 8344.6254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 7659.4090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 67.2551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 8126.4337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 7981.1233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 7222.8693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 9711.8286 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 9999.4762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 7739.8082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 108.1401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 7950.8292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 6905.4664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 3.3831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 7709.9675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 58.9544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 7889.2526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 3.9640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 222.1055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 7999.5856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 8232.7989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 7935.0093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 7716.1503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 7836.2031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 6748.2775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 1.8903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 6537.0653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 9011.7360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 1.3711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 6699.3531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 7484.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 8691.6576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 7699.8793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 8681.3040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 7775.9174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 6994.3068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 6932.1699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 7926.5880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 8355.4068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 8581.0954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 44.0486 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 8187.0262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 7966.0440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 7838.0062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 8758.9196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 7860.9212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 7553.9735 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 7815.6887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 7498.8821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 175.8216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 8250.2575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 7883.2787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 106.8458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 8060.3425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 8211.9315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 8087.0855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 217.6429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 7722.5764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 10214.5239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 8005.2665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 40.2166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 7955.7093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 7897.3399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 68.7119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 5832.9604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 7971.1963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 4.1217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 6615.9755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 7718.3836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 9857.6511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 8005.5694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 7788.5687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 7982.9536 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 7918.1269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 8956.8155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 1.9134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 6896.9851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 7646.4650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 9136.4301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 8433.9251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 8235.9159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 1.8961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 6609.9985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 7533.0068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 7229.3125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 57.6551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 8249.6213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 7799.3201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 6600.1328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 7385.8446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 7415.2930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 7846.9499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 7596.9959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 7877.8325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 8167.4470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 233.2255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 7800.7898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 8104.0013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 8081.9979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 9132.9462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 7579.1244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 9739.5403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 7219.9529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 155.2627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 8193.8728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 7473.1315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 9532.9767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 7686.9732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 9264.0402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 7733.2420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 1.8291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 6425.2566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 8044.6190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 9287.9143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 7957.5654 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 7703.2421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 7372.6441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 8164.1617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 8479.6908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 7828.2962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 8793.3799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 7904.9508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 7352.2860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 5.7161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 9129.9923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 7656.7970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 468.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 9308.4925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 7531.6227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 9381.8637 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 7491.0861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 7326.4453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 8212.0673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 107.8677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 1.8492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 6154.5651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 3.3697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 8595.0226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 7424.9206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 8241.2576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 7398.3730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 6678.3483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 6504.9617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 1.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 8069.4041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 7366.1638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 7551.5748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 7278.0372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 7812.7016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 8193.4800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 7195.9723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 7638.5715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 69.1037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 7704.2454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 7894.2547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 7787.5096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 6173.0747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 6832.0407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 7150.3105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 7801.2604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 7518.1614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 7592.8030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 230.6516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 111.3903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 8549.5852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 7363.0852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 7330.7149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 5982.8401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 7420.3564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 8759.5554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 7590.8035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 8026.2853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 72.1277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 9715.1200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 8237.8112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 9293.4564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 9601.7615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 7883.6004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 7740.9984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 8409.3450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 3.0319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 6836.4872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 2.9629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 7044.5179 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 8083.4843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 9132.5724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 8818.6763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 1.9204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 6592.1144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 14.0330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 8097.5240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 7501.5184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 7986.1675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 151.1289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 5779.0246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 6754.6928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 9101.5676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 7539.8755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 7588.4240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 7019.6634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 7692.7706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 7921.3468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 7106.4201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 8032.2058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 8915.3664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 9499.1969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 8.0478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 7634.7410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 9664.3969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 7874.3636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 7382.1367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 7558.9962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 7413.4211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 7968.0301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 7261.1628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 7625.0362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 40.9958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 7860.8211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 7625.7555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 8204.3042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 8369.7502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 8096.1661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 7741.1348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 7541.4097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 9569.8009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 10075.7042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 7329.5333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 7530.7997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 8407.9853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 8421.9940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 7624.3808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 8834.6308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 7521.9400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 8258.8207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 7805.0970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 7872.0829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 8109.6984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 7170.9193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 7962.4831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 8692.2458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 1.8973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 6701.5776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 9761.5384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 7558.2223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 8520.9595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 9403.7919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 7718.2574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 6693.8368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 6206.1417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 8407.5485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 9445.1102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 7467.7428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 7167.9992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 7462.3205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 8201.0767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 9610.9020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 7977.0681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 8112.5514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 9087.9916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 8179.6458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 7334.0545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 3.3348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 7459.8597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 7587.7618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 7586.6468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 7758.5781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 7703.8979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 9685.0550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 7566.4904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 7995.1716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 5.5739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 9669.5215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 8403.9262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 7859.8813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 7627.1443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 10044.3220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 8230.5106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 8539.7597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 45.4235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 8218.4712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 7595.8062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 9800.2322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 7924.8780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 7377.6784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 8174.9512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 801.5153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 7717.2948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 10230.4219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 7402.9691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 7738.1491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 7270.5468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 8024.5938 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 188.2009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 1.2518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 6460.0890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 7518.3473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 8852.9866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 104.4247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 8431.3370 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 7630.9093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 6934.8829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 6318.8308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 7146.2436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 7732.8563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 8105.8687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 8101.6325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 7631.8542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 7312.7970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 7076.9259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 8222.1029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 7485.7511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 8870.0332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 7850.6190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 7441.1511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 63.7126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 7865.2606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 25.2557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 7842.3357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 9824.6367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 8007.4411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 7742.3890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 9023.4142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 6966.8125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 8102.4839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 8739.8756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 8518.4475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 7950.3707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 86.4813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 7688.9343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 9902.2548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 7375.7206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 7718.0250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 7838.4380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 7948.5448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 7431.5558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 9478.1596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 7858.8734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 7574.2958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 8796.3917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 7326.3582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 8049.6741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 8378.7450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 7223.4485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 8046.3809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 8318.8978 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 9995.0636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 1.9553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 6644.1425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 221.2924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 7986.3440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 9546.2511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 8.2227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 6941.3043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 4892.9792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 7399.2584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 399.0672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 7859.4050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 1.8671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 7811.6058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 8515.7316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 9675.8045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 7802.7207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 7318.1184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 7615.5166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 9019.3904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 2.4261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 8080.3111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 241.4717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 7265.6418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 8093.0005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 7398.3839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 7289.3646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 65.0874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 7508.5984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 7996.3563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 8415.8423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 7566.0338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 58.1049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 9134.2764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 7881.7494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 8167.6623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 128.9942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 7387.2862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 7576.9263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 7929.8542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 8753.9310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 8197.0554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 7667.6532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 7619.9404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 9397.1298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 9345.9270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 9199.0375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 8119.7233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 9257.4655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 7472.5264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 8203.3284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 7844.4290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 7734.6397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 7517.2484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 2.1506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 5916.8595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 7535.0765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 7464.8584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 7444.3426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 7705.5902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 7481.2572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 5610.5585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 6766.5029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 403.1509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 8277.4826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 7994.4148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 122.4371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 7634.9962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 7600.7850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 8389.7382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 7906.8992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 109.3009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 8227.4166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 116.8822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 8021.7250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 142.1434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 7389.0055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 59.6664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 8275.3255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 7758.5121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 6965.2242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 30.1535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 7531.4094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 8078.4145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 7915.6128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 7219.2026 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 7989.8099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 7437.8244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 7419.3182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 8088.5749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 8380.6586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 7051.0898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 7515.7517 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 7575.4988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 113.7876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 8134.9054 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 7037.1883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 7319.3988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 7579.3465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 7856.9314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 7570.4063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 7090.8945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 7708.8423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 7457.8339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 8877.0045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 7431.6063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 8449.3610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 1.3322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 6421.3844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 7683.3069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 8715.2288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 8750.5521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 7512.5267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 7675.9359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 5562.9262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 6830.5033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 9549.9343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 7021.2931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 7348.5591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 9519.4039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 4.7352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 6953.4408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 194.9575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 9457.2927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 8354.1980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 7539.8755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 7588.6666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 7876.3356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 8053.0699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 8507.4940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 7735.8618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 57.9079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 9507.1353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 7541.8853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 8700.2617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 9338.6516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 7767.7107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 8360.1667 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 7698.2484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 8364.4053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 7964.5308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 7976.0340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 7545.0055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 8032.6052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 9198.0566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 7364.0200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 71.4906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 7799.5524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 7288.4338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 7789.3503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 7758.7402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 14.9666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 6847.3209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 8333.0835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 8746.1562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 107.2797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 7862.4623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 7961.6743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 7505.1402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 8246.8445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 3.0362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 5964.5386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 6967.9473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 7318.4766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 7190.9632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 8469.4561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 195.9906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 7262.9997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 2.7430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 8321.7614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 9727.0653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 7851.8244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 8388.5897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 7962.6697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 7434.1777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 9379.4374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 7995.9496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 8120.1592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 9945.9832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 8183.0118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 8976.0611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 7558.1297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 7966.3213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 9860.9463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 8111.4957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 7450.6582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 7510.3599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 7517.2639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 8067.1743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 8056.2368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 7734.0656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 7110.3469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 8292.6467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 1.9172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 8973.0744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 7716.8371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 66.1621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 8867.3492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 7725.3470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 8533.2630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 7242.8463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 7520.9591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 8789.1402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 7233.5306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 8003.3688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 73.4341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 8753.1194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 7597.2657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 9353.4371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 9479.2954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 7812.1772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 8027.7221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 9848.4453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 3.9741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 7021.9533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 7399.0836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 7398.2479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 63.0721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 7498.8988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 8443.9195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 6841.2827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 6645.4901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 7729.7377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 7215.6020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 7671.3416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 7388.7850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 7351.9655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 8291.2017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 7708.5282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 8523.4074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 24.1599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 6610.6813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 10373.7153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 69.7801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 8390.7823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 7614.8808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 8658.9623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 8297.1124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 7837.3314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 8826.3359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 10.1443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 7591.2760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 8851.0337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 8348.1731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 7998.7733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 7820.8787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 8502.6843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 9073.6416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 7585.7912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 8047.4977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 101.0261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 7842.8135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 7780.5294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 7625.6792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 7456.0259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 7165.9706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 7653.4506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 7630.5885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 7510.0115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 8075.8668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 6305.8869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 108.9933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 10437.7058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 7742.9837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 10671.5673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 7982.1808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 1.9103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 5898.2827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 7880.9291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 5.4627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 2.1818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 7315.9784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 1.7434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 9966.2695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 127.1040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 9550.0388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 101.8265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 6943.9635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 4.0718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 7646.8185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 9255.8143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 7326.6196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 414.4088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 8993.6042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 8395.2141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 8012.5797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 7824.4937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 6688.3832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 7737.7427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 8536.3738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 9534.3101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 7954.2430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 8609.4990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 7047.2898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 8022.2612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 7495.2587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 8905.9572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 7895.0503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 8231.9905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 7342.9506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 9005.9133 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 7467.7595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 7578.3879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 7295.9399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 7957.4589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 8476.3441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 9420.5101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 8.3780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 7568.5809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 6236.4881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 6829.9363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 8139.7404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 7668.4433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 8125.0510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 7710.2950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 7159.6065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 7494.2950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 7678.6511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 7616.7327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 2.0764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 6124.5565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 4.7310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 115.8403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 7566.4566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 8599.5283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 7636.3105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 5969.4999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 7510.9268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 8445.1300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 7241.8715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 8004.6379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 8031.7801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 8771.7148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 7534.0543 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 7442.7581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 228.2800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 8150.3134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 84.0647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 10183.6800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 7916.8238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 7392.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 7198.5641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 7659.4995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 7912.2988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 8446.5564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 326.5292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 7520.2079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 1.8313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 6944.2829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 8766.4211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 8714.1583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 7765.4937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 7319.2811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 9065.8548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 9822.4417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 7155.2995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 8243.5082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 7368.6596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 7963.3056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 7784.3965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 8841.4745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 7948.4479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 6974.9401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 8597.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 7556.6100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 4.4448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 7063.8426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 7482.9937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 9483.1640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 7685.2571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 7381.9559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 7974.5629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 1.8065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 5881.0607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 7012.4532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 7362.7308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 8692.3561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 6.7082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 7035.7646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 6396.3117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 6544.6763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 7034.6317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 9.1565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 6357.2155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 8185.5629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 7634.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 133.3058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 7715.0645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 8129.6316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 7119.1491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 1.8064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 7004.8686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 7703.1550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 7033.8064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 7744.8884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 7615.6400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 6911.5082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 9.2206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 10109.9443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 8017.0231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 140.7130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 8424.8407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 3.3431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 7308.3756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 8353.6030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 7740.1685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 7365.6220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 7750.5354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 6949.3431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 5.5955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 7274.1950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 148.0117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 7813.7948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 7797.4875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 8053.2686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 7358.5266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 7337.3362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 9555.3422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 7841.6415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 8372.3161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 9943.5894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 7925.1515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 8232.8658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 7355.8810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 8490.1889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 1.6674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 6483.7599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 8317.1767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 831.6955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 7794.4639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 7206.3678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 7549.6064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 7899.3991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 7908.8930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 7717.4368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 6981.0399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 8470.5005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 7889.2126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 7728.0931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 8872.3640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 7674.7803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 7700.9129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 7406.9686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 8852.0359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 9604.3265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 7310.0148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 260.0690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 7673.3238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 7632.8064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 7696.8569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 7687.5936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 8000.2201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 7221.2970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 7129.9595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 8313.3102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 8425.6365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 34.2508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 7708.5333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 7683.3610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 7978.0163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 7367.9390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 7248.9771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 8331.9592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 8920.7558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 8436.8084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 7988.0423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 7141.0140 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 3.5592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 6620.9678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 31.1316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 7604.2237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 9461.1625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 9944.4487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 7142.3104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 7500.4019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 8992.9470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 7664.9842 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 7270.6173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 15.4922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 7408.6533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 107.7935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 103.4162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 7738.0209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 7876.9876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 8206.6117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 6566.1898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 3.1859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 8554.4983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 7962.4322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 7683.2189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 7083.2957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 7544.2807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 8570.5792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 7414.2117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 8744.8407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 8031.4884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 7442.1604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 2703.3913 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 7805.4674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 9931.9552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 7956.3260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 2.9862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 6609.0317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 78.3526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 8384.3144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 3.3817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 7444.0261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 107.9355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 8323.2550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 8146.4655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 7290.5917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 9197.9068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 8036.5869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 108.9215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 10191.0757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 7976.8785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 9231.1432 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 3.3742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 6994.7050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 8578.9793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 7536.3763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 8191.9798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 7480.3111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 8034.1296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 8258.9488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 161.69s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.18 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 2.7841 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 7320.5067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 8146.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 7953.4201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 7989.7051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 9006.3556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 8545.3401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 7920.8682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 8271.6603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 8220.8704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 9137.1973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 8774.4959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 10954.2258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 8164.4572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 74.9072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 7345.1034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 8467.3411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 73.7067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 9732.6878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 70.8852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 79.7521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 8447.5296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 10623.4964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 8432.9200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 8641.8491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 9683.4985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 8723.2834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 8641.4601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 7772.0044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 8777.2800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 9206.1645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 9536.6809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 74.1324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 8280.4623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 11450.5326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 8648.2587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 67.1962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 8035.9454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 9173.7324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 8317.7579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 73.7399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 8708.3596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 8493.7402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 8688.7579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 8549.9290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 16.9135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 7920.8298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 8838.0855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 8951.9560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 8365.4128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 73.8369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 8447.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 8496.9274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 72.6376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 8619.7699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 8435.9532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 9784.2071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 8779.0791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 8709.1810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 8094.5172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 8813.7362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 10513.0004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 10902.8945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 8611.4198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 8324.3960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 8684.5308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 8544.9853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 8439.0124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 8207.7339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 4.9741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 8472.4305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 8476.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 8139.1188 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 8511.7005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 8451.8683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 2.0081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 7247.2840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 8294.9971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 75.4927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 7993.0850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 8399.0802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 8327.6522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 7462.5619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 2.2571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 7216.6889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 9251.6394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 7853.4420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 8161.0509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 10247.5030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 7321.4534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 9243.0897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 8643.4939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 8193.5606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 9223.4837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 8411.8430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 12349.5108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 8400.4759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 10049.8055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 9112.2972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 74.5412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 8379.9507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 8683.8406 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 8593.6626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 10581.5441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 8799.6674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 8262.0177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 9232.9472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 70.1111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 8768.9671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 74.3998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 7810.7792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 9378.0936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 8155.6142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 8097.8363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 8411.8324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 8602.6772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 8375.8409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 7965.9742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 71.1676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 8321.5742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 8313.6724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 8567.8161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 8301.8105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 8668.9684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 73.9911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 8998.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 107.9517 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 8213.7669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 8050.6944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 8479.5474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 8613.2799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 77.3677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 9353.3451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 8357.8265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 73.2980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 9083.9000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 8326.6010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 8186.7313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 9318.6306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 74.1521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 9523.5997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 8479.8251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 8312.2207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 8501.9558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 8258.6074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 7402.9661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 8340.2973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 516.4666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 8119.5600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 24.0281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 9011.4786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 9139.3918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 3.0392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 69.9298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 8479.3366 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 8809.8492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 8069.2246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 11199.1365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 8502.5252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 72.9802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 8084.4541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 79.2093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 9222.0784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 8697.3338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 8817.6739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 78.3794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 8095.7419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 6374.7212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 7271.5735 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 11076.9696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 7752.0574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 8425.7504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 8512.0715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 67.5409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 8474.2295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 9630.2940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 76.8759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 11693.3325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 8818.4706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 7918.2001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 9857.5263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 107.7203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 8642.5950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 8610.3250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 8159.3252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 9053.8261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 11037.8230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 8383.7616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 8149.0525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 10147.3316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 8265.2239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 12311.4484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 8779.3218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 8470.9986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 8642.8612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 9397.7658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 8513.3023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 2.3909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 2.5687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 7407.5716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 8890.5813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 8461.2398 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 8874.9099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 9037.9755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 9218.6049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 8938.6434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 9342.5080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 8734.0265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 8639.8376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 8509.4341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 7959.6092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 8412.9600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 8180.3984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 8685.2475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 8858.6305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 9008.7388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 9686.8402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 8352.2894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 8957.9991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 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-81.567383 | Delta: 4.76e-02 | M: 8615.1479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 8035.5665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 8299.0962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 38.2868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 8784.6311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 8390.6488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 8279.8405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 8372.6789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 8488.2058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 9752.6360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 7904.0322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 8040.2673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 8839.4122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 8387.0445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 8660.4474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 8015.0126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 1.5941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 97.7539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 8156.5597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 8176.6994 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 8542.5514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 109.0416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 8863.9435 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 8098.5230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 9080.8154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 8084.7138 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 8189.3272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 8632.7526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 8037.0307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 75.2742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 8138.6182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 8717.7497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 8178.2649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 9449.4069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 9408.0463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 7850.7812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 9218.6269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 8379.2247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 8685.6918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 9216.6837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 86.2755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 9210.8336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 8922.2248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 8922.6893 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 8904.2789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 3.0434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 2.4595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 99.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 9016.4457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 8846.0870 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 8421.2414 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 9272.3003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 8520.6819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 8723.5549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 8731.6008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 81.7317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 5585.2607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 74.1824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 80.5017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 8050.7727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 8808.2455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 7877.1456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 8429.2498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 10255.0614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 8579.9944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 2.6983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | 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Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 8299.6600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 8420.3321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 8305.6099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 8552.0491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 8563.9428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 9331.2768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 8005.2346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 7851.4153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 7986.7090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 8767.2808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 8773.7246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 10772.8919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 8841.4614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 8605.1076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 9110.7785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 8989.0455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 9220.9248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 2.8548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 4.3124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 8818.3346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 10401.1429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 8732.5538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 8331.6818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 8559.6757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 8764.0129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 9534.4565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 8602.4790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 11386.5362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 8823.3922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 8629.9620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 9541.9258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 8220.7468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 8747.9081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 66.0019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 8135.6999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 8902.7830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 96.0764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 81.2196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 8862.0695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 9143.2333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 116.0385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 77.7695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 8666.1465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 8798.7835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 8696.6035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 109.1316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 8799.8887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 75.1647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 8763.9943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 7939.3118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 10588.3482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 8458.9731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 103.9416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 96.3212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 1.5043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 8835.3871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 75.6706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 9390.3467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 8648.6377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 9131.7653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 8629.8848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 74.8571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 1.6810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 3.5494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 7566.9111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 8066.6396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 7861.1161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 76.8391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 8575.8010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 74.1717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 74.7804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 102.5808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 76.1235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 8342.4747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 8479.7443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 113.4639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 8299.2308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 8498.3603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 7835.2326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 74.5236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 8458.3982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 8219.6363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 10446.7696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 8317.6444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 8368.8525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 4.9727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 7613.7586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 8487.7185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 8503.2640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 8274.7500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 74.4515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 8340.0225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 3.1797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 450.0081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 8370.9400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 8640.3723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 8151.4437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 8624.9015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 75.7936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 8791.0318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 9665.4151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 8542.1209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 72.9560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 8889.6976 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 8088.3268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 11.4971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 7932.7566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 9365.8294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 9565.3024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 8552.2847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 77.4001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 8483.2387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 9857.7431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 8197.4772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 7935.8350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 107.6963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 8701.8736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 8332.3726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 8236.3731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 72.6838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 8337.8545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 8904.0146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 8584.7350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 4.5382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 7776.2966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 9440.3229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 8700.6714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 8829.0549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 8333.5470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 8317.0833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 76.0946 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 8644.3896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 9735.3755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 8191.0141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 9057.9928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 9183.5412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 8759.0260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 8382.5166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 8480.5217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 8398.6956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 9371.7978 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 8503.1571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 8976.5719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 63.0716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 79.9964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 79.0035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 8632.6318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 8271.0274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 8368.0196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 106.3004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 9496.7343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 9064.5898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 8486.8999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 8635.5860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 8593.7210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 8445.8453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 9063.4010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 8384.1478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 8223.7878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 8627.6907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 8971.8222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 8118.5520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 9066.5389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 8138.3423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 7851.4030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 76.7833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 79.8452 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 6986.9107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 105.8498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 9273.1086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 10031.5409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 1.4348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 7037.1015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 8641.7297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 8354.0185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 8428.8425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 8381.6791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 9181.6220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 74.0545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 7895.8261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 116.3225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 9319.1772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 8044.7158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 7883.0378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 8778.6423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 8981.9689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 8310.2174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 98.7776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 9644.2293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 70.9428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 9466.2589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 8909.7995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 8164.4036 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 77.0820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 8533.0879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 8454.1096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 8585.5809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 9170.9133 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 7942.3661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 8622.5408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 9599.9775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 9094.2164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 7877.0754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 3.2107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 7577.7876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 8725.2013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 8278.6742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 73.7550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 9336.6489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 74.3830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 8158.3043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 11402.6384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 8746.5020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 8390.6922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 9359.8823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 8682.7322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 10883.1083 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 7995.6330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 8794.1925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 8712.1672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 80.5767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 7377.3482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 8625.4503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 75.2914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 8721.3435 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 9149.2043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 8459.5697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 8559.1052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 71.4072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 9321.6177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 8882.2713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 72.6997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 8105.8330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 8482.6569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 76.5741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 8690.1062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 2.5596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 10499.4358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 71.0218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 10246.3147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 8821.9641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 10575.7105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 9071.9266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 8135.1035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 9670.3827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 9334.6355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 9115.8339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 9156.8038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 8780.7753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 9404.0059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 9174.4609 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 72.0731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 8810.3051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 2.4568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 7089.5158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 8982.4996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 104.9101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 8802.0832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 8297.2450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 103.5270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 9221.8979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 7522.6823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 8720.6644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 8306.7990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 9196.9146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 9203.6022 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 9297.0468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 75.9406 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 8268.4136 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 105.3953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 8147.6243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 8502.4794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 72.9529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 8902.4161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 10.4468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 9502.4846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 8250.3327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 8413.6464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 8214.7252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 7364.5124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 9377.4265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 8386.1787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 76.9621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 8437.1210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 11199.8413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 8899.5760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 74.3794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 8711.5714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 68.6002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 108.4614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 9670.5580 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 10249.3531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 8170.2325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 3.0159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 7949.8132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 8903.0376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 8586.6732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 8121.2221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 18.6608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 70.9189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 73.2144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 8660.5981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 7878.0981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 8354.4360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 8468.8922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 8724.3464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 7846.1307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 7953.2178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 68.6840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 9479.2173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 11966.5038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 72.7411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 8131.4557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 8532.2264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 9066.3226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 8735.2636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 8425.2086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 8074.7178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 3.3294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 7911.1610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 78.7006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 9398.6090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 8786.6579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 168.5071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 8420.7645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 9288.7756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 7977.2826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 8356.1427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 7724.6782 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 8453.1356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 8846.8787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 8954.7085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 8615.5057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 8091.5817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 8149.1537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 8897.1746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 10630.3873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 8130.8884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 7856.2723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 7757.1483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 8734.1054 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 9092.1138 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 3.0128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 7698.4872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 7738.7024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 9568.5898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 8692.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 9349.2691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 8788.9510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 8768.3283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 10.7933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 8633.8267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 11166.1305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 9466.7796 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 11499.5403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 83.8991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 11230.8151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 6294.8199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 2.5463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 7326.4455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 8913.8479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 8176.9781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 9505.8423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 8877.9797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 9185.1610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 12454.0063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 8685.5097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 72.3211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 8698.4990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 8247.1734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 8858.2282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 8052.5823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 8190.4673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 75.4145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 9277.1339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 9757.4307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 8695.2990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 8265.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 8313.2619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 8755.4373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 9841.1076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 60.5630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 100.1820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 9411.8436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 8177.8673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 8952.9970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 8379.0740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 72.3023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 8229.8303 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 8323.1646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 9057.3417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 9500.3713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 8813.7547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 8829.3459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 8958.7768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 3.0881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 7750.6464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 8187.7183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 8552.5759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 8727.7242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 78.8539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 106.3604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 9090.8437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 8659.7225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 9180.4761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 9283.1826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 8961.5989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 8941.6525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 8767.8001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 9445.2234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 74.9408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 8559.0244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 8238.2110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 8422.9556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 8570.0900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 10815.7694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 103.5215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 9400.9727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 8512.9862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 2.5744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 7420.5858 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 7910.1244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 8351.7481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 8598.0452 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 8214.8896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 8881.3248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 8731.5241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 8856.9054 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 8374.9456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 73.6162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 8445.0252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 8900.2639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 8442.5865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 8520.6256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 8135.0868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 107.8823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 7944.8393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 9615.2231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 8086.5935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 8351.7487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 74.5075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 66.7495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 6607.5132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 7101.0094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 73.2058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 8192.0694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 10353.5495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 8702.3928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 8527.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 8900.0961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 8833.7736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 8224.2850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 8521.2379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 9168.4531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 9066.0270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 9268.7955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 8863.9586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 8376.1686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 11095.6287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 8444.6856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 7915.5107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 8856.9946 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 8729.4889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 8540.7211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 8806.9560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 9024.1400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 74.0197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 74.0248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 7881.5744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 7623.9616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 8805.4851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 8243.7048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 8422.4600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 8317.7162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 74.1679 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 8029.1424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 8245.0040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 10673.2534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 72.8434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 8615.2992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 6642.5478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 7641.5629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 8308.3481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 8364.8634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 8309.1172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 8842.9729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 8448.3448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 2.5722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 7606.8143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 8772.0790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 75.8996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 8489.0065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 8437.2181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 7986.7557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 8039.0320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 9073.3770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 8357.7950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 8670.3992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 9184.0080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 7784.0456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 74.3281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 8522.0539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 8001.0571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 76.6864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 8472.1742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 79.1354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 8680.3668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 10319.2776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 9446.2531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 71.7250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 8712.7289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 8237.8432 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 84.5093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 8740.9349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 8289.3803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 9151.3810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 72.9414 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 8708.6298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 8187.3809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 7976.7872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 8477.0015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 73.0051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 8225.5868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 11067.0546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 8141.5947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 9103.6923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 8921.2973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 8285.7649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 8253.8661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 8416.5605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 9063.7640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 3.0475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 8127.4828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 8380.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 8184.3606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 8937.8712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 8309.9852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 8868.8158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 8326.7997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 8538.0292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 9758.5578 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 8526.0011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 8651.3385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 9009.5534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 8759.3806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 9214.6141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 8369.4035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 8512.0552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 11113.4809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 104.9501 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 8572.5049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 8266.2094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 8576.5721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 8728.6918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 76.1658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 8088.5307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 8801.6793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 8121.6257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 1.5118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 7030.3411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 10516.4895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 71.0676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 8951.2504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 8661.1848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 8157.1881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 9423.6357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 8761.3475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 82.5245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 8452.6616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 64.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 9027.9652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 77.3520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 8980.3284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 12088.2401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 8162.8529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 78.7908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 8118.7716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 8783.2065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 8816.7085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 9281.4518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 113.0869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 72.9829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 8239.8544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 68.0957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 8417.0784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 9275.3114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 8946.6159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 8892.2487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 8110.9120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 8931.6774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 8487.4086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 8629.0953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 8840.6718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 72.1254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 10131.2623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 7970.7765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 181.73s (includes QPU queue + RTT) -[H2O] Time/iter: 0.20 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=2 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 2.0502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 4970.3081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 88.5066 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 111.3098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 96.3309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 77.0657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 57.0340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 94.3276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 78.1534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 67.2092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=2 T_total=1.1960 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=2, molecule=LiH) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.393333 | Delta: inf | M: 5149.7111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.558221 | Delta: 1.65e-01 | M: 183.5612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.683524 | Delta: 1.25e-01 | M: 185.4159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.969214 | Delta: 2.86e-01 | M: 101.2106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.124101 | Delta: 1.55e-01 | M: 120.5460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.536693 | Delta: 4.13e-01 | M: 107.7274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -2.211627 | Delta: 6.75e-01 | M: 96.1087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -2.321251 | Delta: 1.10e-01 | M: 97.8045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -2.744259 | Delta: 4.23e-01 | M: 128.7617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -3.048238 | Delta: 3.04e-01 | M: 186.1359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=2 mol=LiH terms=631 terms/rank=316 T_total=1.0454 T/iter=0.1045 final_E=-3.048238 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 2 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 15.68 0.0784 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 79.22 0.1031 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 161.69 0.1805 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 181.73 0.2028 -[Results] Saved to results/simulator/simulator_20260416_234809.json -[ 457.41s] Log closed diff --git a/results_hpc/simulator/run_20260416_234832.log b/results_hpc/simulator/run_20260416_234832.log deleted file mode 100644 index dc40bbe..0000000 --- a/results_hpc/simulator/run_20260416_234832.log +++ /dev/null @@ -1,3459 +0,0 @@ -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 [Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_s[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[ 513.55s] Log closed -eVec MPI-distributed (4 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 25.3040 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 19.8710 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 27.3529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 23.0121 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 25.1867 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 29.4213 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 29.2514 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 25.5905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 0.8558 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 20.9394 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 29.5356 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 52.1596 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 31.7574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 36.5023 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 3.9425 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 71.5673 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 124.7240 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 193.4398 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 43.8436 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 49.9782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 17.9605 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 108.2715 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 82.2728 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 35.6526 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 58.7172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 3154.2588 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 42.7668 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 14.3532 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 43.0011 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 256.8712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 2113.9873 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 47.2816 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 75.3193 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 132.8561 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 229.8526 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 194.9687 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 96.7260 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 48.3140 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 225.1379 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 201.5705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 198.8513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 1900.2835 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 2354.4284 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 2420.3585 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 1199.1581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 275.7469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 2420.6647 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 1567.4145 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 1440.0618 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 2322.5815 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 251.1096 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 268.2788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 343.9185 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 202.4095 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 97.0741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 41.0700 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 48.0683 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 100.9387 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 23.4059 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 125.1640 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 194.8813 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 152.7985 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 103.9500 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 23.3455 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 242.4674 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 1129.5824 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 23.0357 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 58.8681 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 2559.1659 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 94.0929 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 124.2484 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 51.5275 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 88.6039 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 1102.5919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 65.7052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 105.6060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 70.6353 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 66.8968 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 259.2001 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 71.8318 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 236.4458 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 69.6116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 4.0669 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 66.0133 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 276.4776 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 116.4337 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 65.2521 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 82.5198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 197.8426 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 59.1568 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 166.6697 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 287.4672 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 78.4380 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 209.0338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 363.4092 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 110.7775 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 23.5750 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 59.8953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 4.0471 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 468.7679 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 20.0512 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 80.0299 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 160.1589 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 23.7536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 196.1025 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 1745.7589 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 360.0987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 133.5643 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 209.1074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 329.0139 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 2393.2343 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 138.4806 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 1916.4685 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 90.4005 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 189.1312 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 560.4063 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 626.7255 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 104.6141 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 2432.4355 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 194.2555 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 27.9735 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 6.4155 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 2274.3056 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 2451.9495 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 2570.3992 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 2391.8581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 398.1607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 2249.8199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 378.2281 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 2471.5200 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 2606.1788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 2313.4375 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 2345.3529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 2456.2578 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 2230.9246 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 296.1655 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 2290.1761 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 336.0125 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 150.4975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 2299.5078 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 124.3375 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 2276.1518 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 0.7841 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 2381.1690 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 315.5027 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 0.6459 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 2244.8444 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 2409.8031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 2320.5625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 2353.5819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 353.5500 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 2344.7367 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 1862.0976 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 3452.5899 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 21.2078 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 103.1728 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 164.8504 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 52.5218 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 120.6220 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 219.6013 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 2120.9574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 2708.0889 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 89.1477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 80.6178 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 203.3940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 59.7453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 86.7173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 1767.9834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 2811.6871 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 2670.8233 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 2678.5850 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 284.2260 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 2545.3627 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 55.4812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 2788.1416 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 11.6615 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 2595.6285 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 34.1369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 2655.9054 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 33.1114 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 138.2751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 9.6564 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 197.8329 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 13.2961 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 342.8559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 535.4351 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 602.9634 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 16.40s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 0.4791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 36.0763 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 23.9496 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 25.8366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 25.2553 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 21.3173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 23.7067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 106.2063 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 25.9922 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 34.1441 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 25.4954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 25.9164 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 28.0618 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 30.8930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 31.6877 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 50.4117 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 111.7351 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 26.1784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 42.9227 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 31.2960 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 45.2534 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 35.1787 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 33.3139 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 50.7503 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 98.9595 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 42.9626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 23.4930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 109.1116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 30.1817 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 40.4056 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 56.5975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 84.9502 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 23.2398 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 5.6031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 56.2271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 40.5563 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 41.7548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 36.4348 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 35.5059 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 35.8060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 18.6662 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 118.8497 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 45.1293 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 29.5839 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 134.9305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 125.3690 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 32.8626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 118.2502 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 2418.9674 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 120.0837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 53.5216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 3197.3102 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 45.8857 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 59.8138 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 30.2032 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 66.3517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 36.4263 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 60.5542 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 37.2463 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 29.2948 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 55.3581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 55.2301 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 31.5813 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 48.9240 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 31.3416 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 121.9548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 0.9009 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 42.4926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 48.0438 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 39.5695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 38.4065 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 27.8527 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 28.9574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 32.8573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 26.3742 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 0.7770 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 90.4881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 22.0180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 45.2473 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 27.1751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 33.1858 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 27.1129 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 87.1529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 107.6601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 29.6860 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 23.4520 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 4394.9132 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 20.4727 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 31.3043 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 26.5713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 39.6854 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 23.5838 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 25.3581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 24.1901 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 21.2753 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 30.7002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 23.0762 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 26.2797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 31.9322 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 32.5338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 89.4768 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 24.6254 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 39.3383 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 11.4247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 69.5477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 24.9663 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 41.9852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 31.2567 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 41.0802 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 39.1708 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 30.7312 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 72.7118 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 32.5556 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 69.5707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 58.0439 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 45.9735 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 60.5156 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 30.1641 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 26.6853 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 35.4319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 33.4943 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 31.4548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 12.8982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 39.7149 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 57.4797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 42.7438 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 38.7714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 32.3287 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 23.5695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 76.6458 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 26.6919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 42.9678 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 37.7228 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 32.7898 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 31.0411 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 25.6272 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 57.4919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 48.5589 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 2331.9519 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 30.8318 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 2598.0790 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 25.8927 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 32.0041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 28.2034 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 34.9376 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 24.0893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 37.2507 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 49.9641 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 24.7349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 93.7712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 48.0070 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 52.0610 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 43.6122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 34.8980 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 63.7228 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 44.4910 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 37.1936 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 119.8989 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 35.1248 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 49.3179 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 47.9204 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 110.6664 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 48.2931 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 59.8153 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 114.9478 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 32.2091 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 148.3415 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 19.4546 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 31.3472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 47.5516 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 33.3635 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 23.1123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 107.1381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 15.7615 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 2.3927 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 6.0093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 3.0317 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 5460.5500 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 14.9190 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 11.1488 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 47.1608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 33.2231 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 107.8465 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 51.2792 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 102.6817 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 51.2436 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 51.1634 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 25.4666 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 25.5123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 49.0170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 138.2803 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 2877.8511 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 49.4211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 3168.6885 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 2861.3791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 60.1103 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 2968.0151 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 33.5084 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 0.9201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 33.7849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 34.0940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 113.8219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 87.3874 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 33.4572 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 25.7413 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 35.7908 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 53.5626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 30.0819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 27.5933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 34.8960 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 32.2667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 28.6811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 40.5450 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 33.1871 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 0.7741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 3074.5409 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 30.3558 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 29.9580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 37.1923 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 36.9060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 49.0445 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 37.6266 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 70.0384 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 120.8997 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 47.9028 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 46.9725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 25.7224 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 37.1367 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 4201.9420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 27.2053 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 84.7089 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 41.3306 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 31.8472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 128.3702 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 37.8547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 48.6748 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 54.2084 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 38.5223 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 37.3528 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 61.4202 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 50.0295 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 73.6603 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 59.0177 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 61.1586 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 114.1969 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 48.6256 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 46.0920 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 46.4580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 37.8163 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 30.8518 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 31.9460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 59.7032 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 51.3806 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 39.3061 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 39.7228 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 20.4050 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 19.7344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 21.8022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 22.5556 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 23.9357 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 24.0475 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 22.2135 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 22.1993 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 25.9456 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 21.8378 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 41.7292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 30.2703 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 37.9214 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 89.7104 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 51.5614 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 33.0225 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 34.4117 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 23.9929 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 34.7161 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 24.3965 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 23.3437 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 113.7375 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 51.8952 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 50.9782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 55.0093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 24.0430 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 51.9716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 104.8715 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 45.5033 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 105.6811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 25.0014 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 54.5271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 24.6787 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 32.0680 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 97.0635 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 34.5687 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 36.6146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 32.5743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 28.4139 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 25.1812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 36.2185 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 25.8197 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 33.1402 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 33.7369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 21.4282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 43.8127 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 52.2687 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 25.7624 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 30.7915 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 29.7765 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 23.2116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 31.5933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 30.9107 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 23.1358 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 37.9844 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 33.8723 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 44.9672 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 48.3608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 35.8010 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 24.0601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 47.6426 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 27.1010 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 44.3047 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 2939.8579 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 22.1904 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 22.8698 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 21.2978 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 25.5956 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 21.6064 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 28.9767 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 23.4842 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 23.6576 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 22.9548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 24.6219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 23.0004 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 0.9559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 27.1248 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 22.3771 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 24.6199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 25.4732 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 23.7913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 51.6576 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 52.2713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 50.3791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 54.2701 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 2791.2309 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 25.0717 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 51.9321 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 51.1583 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 92.8667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 24.8454 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 104.6201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 30.2955 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 112.0580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 45.2407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 37.3987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 0.8605 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 104.4244 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 65.9506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 106.3148 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 30.9031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 100.7030 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 46.7147 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 49.2510 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 3125.3856 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 2980.6407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 108.7604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 33.9402 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 52.7749 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 3057.1157 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 2971.4009 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 48.9544 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 20.3788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 22.8801 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 21.7945 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 20.3607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 20.4305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 4294.2533 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 15.6230 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 94.7273 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 20.8351 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 29.0690 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 33.4708 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 26.4497 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 72.4336 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 28.1996 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 38.2951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 22.4222 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 31.1042 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 25.1699 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 31.8476 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 38.3282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 50.2768 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 33.0847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 33.6111 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 30.2982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 3005.2310 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 23.0475 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 48.7473 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 41.5220 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 29.4068 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 126.3598 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 45.2362 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 110.8836 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 36.8905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 41.5638 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 3006.9265 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 31.6601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 45.2180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 45.8612 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 50.0993 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 3012.2266 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 50.8911 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 111.8331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 104.0013 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 57.3509 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 2640.2837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 11.2963 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 49.6811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 35.2495 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 30.9937 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 36.2288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 38.4292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 38.6998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 78.5875 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 35.3026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 109.5949 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 58.2279 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 36.2045 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 41.1730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 39.2030 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 39.0008 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 27.9550 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 43.4651 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 94.1995 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 49.5484 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 13.4237 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 73.1429 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 68.9949 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 33.0654 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 42.8211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 25.4774 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 44.6837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 2916.9290 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 3039.2499 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 31.6834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 35.8546 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 33.9136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 29.3999 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 72.8317 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 27.3930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 29.2035 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 52.6685 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 30.8042 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 142.2334 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 170.5293 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 37.0534 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 2994.0445 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 14.2829 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 3087.6704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 114.7455 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 2924.3529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 2961.9552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 113.4480 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 2987.6282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 91.3483 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 2960.8498 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 0.9288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 86.9959 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 22.8951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 5.9727 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 37.1636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 32.3608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 31.3423 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 29.9344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 38.8366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 36.8051 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 91.5289 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 33.5469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 32.3894 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 32.2498 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 33.7977 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 29.1079 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 43.6347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 38.6409 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 51.7588 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 113.9484 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 45.1459 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 31.4869 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 36.4420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 34.2475 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 33.0953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 30.0016 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 32.7953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 0.7621 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 3285.8750 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 30.8841 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 26.0368 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 40.2716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 33.1782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 42.4477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 30.4484 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 32.4000 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 28.0837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 40.7026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 29.9104 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 38.1886 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 103.4496 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 31.8630 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 92.1204 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 32.0673 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 94.8243 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 22.5191 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 101.7566 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 3.5573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 4.9583 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 108.5232 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 37.0504 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 79.5615 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 4534.8531 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 23.9450 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 51.8135 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 24.3282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 30.1541 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 121.5327 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 43.6513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 128.9305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 29.1285 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 124.6470 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 3078.0552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 139.9206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 2950.4955 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 120.6247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 77.4205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 113.0132 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 98.8280 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 118.4755 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 3304.4047 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 117.3440 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 116.3017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 3112.1170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 97.0994 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 34.6461 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 37.3753 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 106.1988 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 32.2925 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 35.5963 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 3049.2121 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 51.3543 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 50.5559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 91.4441 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 2056.0320 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 46.5908 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 41.3772 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 44.4875 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 37.0875 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 83.2769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 52.8547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 119.9507 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 119.5327 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 35.8383 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 33.8957 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 48.4198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 131.5436 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 35.5923 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 55.8951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 44.7961 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 44.8604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 134.8405 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 37.5879 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 113.3409 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 11.3719 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 3012.6725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 3078.2306 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 46.2667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 3309.4926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 61.8493 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 103.1165 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 44.1015 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 60.0842 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 43.9109 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 101.3288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 46.7035 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 103.3238 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 42.2460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 54.3177 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 100.1956 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 107.1536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 44.7604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 2986.2123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 111.5369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 56.6633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 110.4221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 129.1441 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 89.2823 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 55.1730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 60.4810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 71.6205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 68.7113 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 1.0138 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 89.8395 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 59.7702 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 116.8958 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 93.0876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 131.4587 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 125.3594 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 109.1809 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 113.5196 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 71.4370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 64.8864 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 67.0119 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 81.8599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 128.4354 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 120.0161 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 63.1590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 59.1372 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 78.8675 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 139.5299 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 3268.3549 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 88.9535 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 77.7771 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 98.8137 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 128.0950 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 131.7801 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 128.0277 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 133.5172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 3470.2637 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 130.0138 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 3398.2491 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 126.8485 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 81.3233 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 114.4148 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 3397.8784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 0.8094 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 3144.4625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 129.5636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 3085.7990 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 3048.5971 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 3016.3147 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 3068.7644 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 52.1646 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 3071.7977 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 3001.5163 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 3044.5067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 73.8663 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 61.3187 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 57.3983 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 3057.2849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 77.5703 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 3038.5508 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 3039.2842 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 3181.8152 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 3063.8108 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 61.6331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 3165.5982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 11.7131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 32.4001 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 3077.4547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 44.8353 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 53.1358 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 66.2709 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 3130.4184 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 46.5767 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 5917.7611 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 21.2782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 3181.9938 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 48.8973 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 54.3721 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 73.9332 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 3037.6017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 51.3568 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 52.6100 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 53.0282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 50.8628 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 3082.9421 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 3002.9390 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 2991.1278 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 64.9714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 3149.1768 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 71.3962 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 63.6705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 119.4630 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 3030.2264 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 3121.0823 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 116.9723 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 3084.7573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 60.4936 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 66.4030 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 2751.9586 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 2994.3450 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 2983.7839 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 3022.4720 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 3025.5712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 3066.2133 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 3144.3208 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 2963.2267 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 116.1357 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 2966.2148 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 2994.6562 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 2993.0574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 2985.6036 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 2985.1208 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 2965.7634 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 3073.5764 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 3159.1632 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 3094.8040 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 3255.5164 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 2987.1605 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 2930.2942 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 3057.7122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 44.8986 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 67.5935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 52.5725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 64.7397 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 84.2292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 61.4778 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 94.6931 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 122.0494 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 92.6560 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 99.1785 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 121.3808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 92.9940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 54.9207 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 75.4662 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 127.9661 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 124.5559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 124.0383 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 39.2922 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 118.7725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 29.7636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 67.6873 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 0.9379 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 2183.2202 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 121.8334 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 2999.8769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 101.8970 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 2276.5663 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 54.6704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 107.0365 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 3056.7780 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 3915.9693 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 43.5095 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 3007.4378 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 57.9261 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 2989.8575 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 101.5108 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 101.4296 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 3176.3788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 113.8933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 2950.3956 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 52.8449 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 35.7270 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 47.7630 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 95.3992 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 2861.7619 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 51.7757 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 27.0738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 34.7743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 30.4633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 28.4477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 3048.9590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 29.6010 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 3013.5186 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 24.0502 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 31.8985 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 28.6707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 28.0764 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 3023.7777 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 22.6662 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 29.5318 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 0.7926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 21.3917 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 6.5057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 78.35s (includes QPU queue + RTT) -[LiH] Time/iter: 0.10 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 2.8505 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 3876.8940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 58.7876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 152.4298 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 58.1541 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 10.3042 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 4585.7112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 4.0826 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 4088.7972 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 5.4547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 4234.1064 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 61.0110 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 20.0817 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 54.6408 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 32.6251 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 32.1772 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 4755.2244 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 1098.9878 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 59.5336 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 5083.6765 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 59.4830 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 59.7974 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 58.2969 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 54.8925 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 25.2911 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 4376.6437 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 5.5273 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 29.9855 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 86.9399 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 5212.6982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 60.0326 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 58.9650 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 4909.7526 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 6.0893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 33.0003 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 32.7115 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 33.2670 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 32.8786 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 53.1052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 59.2473 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 8.9402 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 15.3288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 3.1493 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 3.5645 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 3.0423 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 23.6168 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 72.9930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 1.5146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 3621.1648 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 32.9215 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 56.7019 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 5351.0936 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 33.8086 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 54.5707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 5.1905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 35.2221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 5303.2517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 23.8083 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 57.7892 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 81.9239 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 4295.1370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 33.4774 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 4.0089 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 52.2341 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 35.5100 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 56.7320 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 56.9678 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 25.4551 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 55.4696 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 34.1426 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 58.2946 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 59.6260 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 32.7350 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 55.6153 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 2.0026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 49.2026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 32.8300 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 33.6791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 54.4371 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 4425.7991 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 77.2410 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 51.2389 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 55.6952 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 58.8275 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 62.0400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 23.4073 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 56.8987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 55.8154 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 55.2500 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 34.0344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 66.7314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 53.7828 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 4850.5363 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 56.8472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 4.9373 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 3739.9210 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 32.0067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 32.7715 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 54.0437 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 64.1474 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 1.5092 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 3543.7581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 92.7983 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 25.5377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 58.1573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 36.3419 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 59.3259 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 51.6579 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 4134.1187 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 57.8021 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 31.3537 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 25.0796 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 86.1014 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 7.8034 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 30.1914 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 4260.4031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 59.1060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 54.6623 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 50.4062 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 34.5027 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 80.5622 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 7.6852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 56.7050 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 33.1104 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 55.9191 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 4663.4719 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 33.3195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 33.1799 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 1148.2598 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 56.7514 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 4562.8766 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 3.9858 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 31.9806 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 4097.3570 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 4.4731 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 4532.3370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 15.3207 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 56.6286 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 34.9323 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 4194.4912 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 3.9958 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 13.2069 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 4117.0115 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 4029.5012 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 27.9278 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 34.5246 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 33.2337 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 78.8818 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 4.6593 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 2.7203 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 1.7810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 2.1028 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 3871.8651 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 1.5215 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 3575.3241 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 4626.8678 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 5.4241 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 4093.6833 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 52.6244 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 54.8198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 4151.7160 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 4161.2507 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 4790.3636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 52.3326 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 58.3960 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 6090.9738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 51.9251 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 59.1751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 56.8786 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 4341.7607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 69.1890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 56.3953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 3.0887 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 3856.4840 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 30.2467 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 4829.7739 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 24.5590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 4505.2784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 3.9019 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 3764.7657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 57.5800 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 32.3426 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 34.6390 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 5062.6642 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 4342.3180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 99.0296 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 26.7411 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 1.2894 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 3422.6532 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 33.1989 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 58.8775 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 85.7857 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 30.8216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 4998.3651 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 34.2931 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 59.3330 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 94.4456 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 33.9158 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 30.9885 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 52.0745 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 4704.9657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 31.6702 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 4073.7772 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 61.5467 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 60.5031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 34.9571 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 1.5219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 3450.2165 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 52.5485 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 32.0175 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 4750.6924 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 7.3072 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 4376.2876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 99.0247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 4315.7150 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 33.0976 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 4406.2343 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 25.1361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 5454.2214 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 32.5245 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 4722.1049 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 32.5983 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 3.8131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 3.0896 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 14.8881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 4559.6580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 33.4085 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 25.0531 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 4817.5333 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 4276.8667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 58.6921 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 90.4836 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 56.2944 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 34.0212 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 35.9331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 55.5719 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 4615.5106 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 55.1815 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 34.6179 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 76.7995 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 24.2930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 4716.5329 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 32.1002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 54.9623 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 32.5603 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 4399.3015 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 55.9888 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 4304.1067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 4842.4285 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 32.7056 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 3116.1011 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 25.2356 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 59.2051 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 4839.7812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 57.0372 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 4380.7913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 33.9612 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 34.4377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 58.1506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 1.3946 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 47.1014 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 56.6144 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 25.4449 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 11.6144 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 5.8784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 55.4919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 4312.0692 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 33.7213 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 3880.0165 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 58.4657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 57.5763 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 4294.7991 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 59.9422 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 58.5959 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 34.4529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 31.9576 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 4286.9570 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 54.8549 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 7.9769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 51.2537 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 4109.5192 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 51.8742 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 61.5310 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 24.6997 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 4318.8612 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 4520.9361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 38.7112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 53.3262 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 4561.4970 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 5223.1517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 2.6956 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 29.2738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 74.9452 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 57.8501 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 55.7005 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 31.8344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 5.1325 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 44.9867 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 33.2553 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 48.8232 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 4617.8309 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 57.6851 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 56.6491 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 4167.4759 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 14.5017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 24.6081 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 4378.8482 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 7.6096 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 3809.6925 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 55.7561 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 32.2519 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 2.2052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 1.1142 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 428.9778 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 1.9341 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 27.2158 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 127.7181 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 34.6205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 59.3099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 59.0033 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 32.3791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 55.1461 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 2.9525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 37.3971 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 5845.3105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 4522.7762 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 4584.4496 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 4506.8954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 4346.6337 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 55.8453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 4277.9695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 4606.4838 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 25.1422 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 3216.7979 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 57.6152 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 35.8460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 50.6307 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 31.7069 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 25.6151 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 4673.7052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 52.3367 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 5068.8966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 4270.0213 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 5.4823 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 339.3905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 60.5432 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 3.1123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 28.4481 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 4254.1862 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 14.5090 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 33.7577 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 4517.7896 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 61.2932 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 4743.0852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 2.1365 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 48.1291 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 24.3419 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 4233.3998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 2.5309 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 4.0601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 37.0002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 33.5273 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 2447.5716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 33.1506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 60.2799 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 1.6892 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 1636.7022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 65.1771 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 3.4805 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 51.8439 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 32.1941 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 58.4831 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 58.2732 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 4983.7847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 8.1567 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 55.3837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 20.8199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 80.4006 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 33.8843 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 4715.3459 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 5429.1058 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 4365.4284 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 4224.8968 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 33.1330 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 1.5573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 45.4958 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 2.5280 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 29.8798 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 23.7114 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 3044.8071 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 4756.2912 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 30.0130 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 61.1021 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 56.2701 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 54.8005 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 4334.0781 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 31.8192 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 4245.4447 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 7.0756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 9.9096 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 33.7861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 1077.7196 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 4152.0276 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 5562.6136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 52.9808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 33.8866 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 3.1635 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 2.5732 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 47.3547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 4604.7523 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 34.6890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 4762.4730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 57.2345 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 56.1074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 3740.1811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 55.6088 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 4239.1354 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 32.3866 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 1.4515 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 19.5865 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 62.3590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 33.6229 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 4162.9025 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 56.0624 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 4744.6565 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 4764.3783 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 6.2513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 31.7672 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 4981.4584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 24.4856 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 81.6291 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 1.8180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 49.4832 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 57.8022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 35.0818 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 3517.0009 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 53.8209 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 4.8425 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 54.9057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 33.8704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 4275.9797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 5.2407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 4259.2233 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 4449.1699 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 16.2147 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 56.1573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 56.6832 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 62.8827 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 36.9935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 31.8861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 4602.2918 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 53.0175 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 32.9126 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 56.1890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 4549.3361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 33.0141 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 4352.3051 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 25.0136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 56.4399 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 59.3589 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 35.8943 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 32.9708 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 34.5038 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 52.2195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 58.8314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 59.4029 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 55.9360 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 63.4290 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 2.7517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 28.8146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 32.6498 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 1.4946 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 4.3024 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 29.4627 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 4662.4024 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 33.0856 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 4440.7136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 4659.8632 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 42.4230 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 32.8366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 4253.0112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 81.2381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 36.0849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 2255.9004 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 4845.5046 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 32.5126 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 53.6822 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 4.2241 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 5.3913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 57.3764 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 587.7497 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 4640.4340 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 4416.0861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 25.8247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 57.7776 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 58.6966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 32.4830 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 4256.5917 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 33.0471 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 4321.5019 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 35.6199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 32.8075 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 61.6530 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 59.8127 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 2944.5881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 55.0645 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 1.8866 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 45.0521 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 61.9657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 80.7518 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 64.6410 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 66.4112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 34.7608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 59.3797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 34.7046 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 4620.8952 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 35.6228 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 31.9961 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 34.6015 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 59.2477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 31.9105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 5544.3516 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 4179.9771 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 29.7319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 1.3496 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 48.5103 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 32.2288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 24.0379 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 54.8779 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 56.6359 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 37.2048 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 31.3282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 33.9905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 4108.3981 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 56.0037 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 62.4173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 46.0501 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 4939.7356 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 12.4721 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 53.5684 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 54.5333 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 4273.2581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 4.0743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 10.9431 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 68.4118 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 69.3361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 2.7423 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 3558.9699 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 2.3639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 46.4024 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 55.6795 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 57.0691 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 55.5384 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 4449.8688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 5.9031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 1.9215 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 48.7750 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 55.5756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 108.1850 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 33.9524 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 3613.4247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 7.9520 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 30.3257 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 4178.6250 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 53.2493 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 4540.6403 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 51.5647 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 4103.0790 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 33.4595 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 34.5544 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 4448.6694 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 2.7617 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 2.7082 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 11.3812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 2.6479 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 1169.4545 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 63.1483 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 3.6210 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 4600.5200 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 6.8011 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 3949.7886 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 62.1819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 4802.9784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 60.4558 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 4669.7609 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 56.4906 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 57.6646 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 55.6506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 64.9167 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 5800.6527 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 32.8913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 2306.6266 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 24.6558 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 32.4758 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 4279.4400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 6295.8620 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 54.3941 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 33.2208 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 4169.8893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 35.4218 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 33.8107 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 4406.4244 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 4647.0506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 56.3718 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 5475.4454 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 5249.3252 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 4601.5705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 4418.5341 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 2.9276 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 45.3045 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 56.1588 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 31.7195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 4268.5113 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 60.0650 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 2.9486 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 2.3614 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 4409.9080 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 4483.7531 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 56.2159 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 56.3732 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 57.2237 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 4298.6710 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 2.8494 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 45.8704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 2.6013 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 3.4028 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 48.4726 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 4170.0524 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 56.0321 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 19.4461 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 1.2198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 3540.3014 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 1.9611 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 46.5453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 56.8005 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 4524.2893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 32.8026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 4450.4363 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 2.9890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 27.5981 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 18.5555 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 23.4987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 83.0745 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 3.1552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 2.7966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 51.4206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 25.2342 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 33.2628 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 3714.7853 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 2.2273 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 48.1542 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 33.3201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 56.4842 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 57.6612 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 34.0704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 58.4248 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 3.9198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 4.9969 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 4532.6834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 30.8548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 32.6694 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 4297.6645 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 1.5655 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 46.8192 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 59.1664 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 34.0281 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 31.4760 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 25.1039 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 9.8174 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 4153.5999 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 64.2928 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 2.2903 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 3.3665 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 3870.5840 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 54.2131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 43.1498 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 33.6830 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 62.4041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 24.4614 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 43.5787 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 1.5143 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 128.9433 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 12.4352 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 1.8154 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 3834.4647 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 11.9633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 4386.3709 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 28.4596 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 57.1096 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 24.0524 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 31.9344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 65.7861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 4188.6414 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 2.9191 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 2.2698 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 5446.6808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 10.0939 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 9.7781 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 3.0908 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 53.0366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 32.4333 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 59.8557 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 4034.4516 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 1.9141 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 4120.4178 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 56.0964 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 55.5417 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 57.2510 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 4654.5086 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 5.5186 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 18.0347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 32.5421 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 31.1623 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 32.4346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 3573.2713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 34.0813 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 60.4893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 5173.7729 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 32.9292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 30.9110 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 4280.6105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 4683.7760 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 33.6777 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 4204.9987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 24.6445 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 4354.7939 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 11.0452 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 32.5763 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 60.2625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 59.2604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 51.5797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 55.4401 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 54.9994 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 3987.8711 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 4568.4855 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 58.4542 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 1.8281 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 4064.2673 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 57.3525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 56.3659 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 24.6119 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 4039.0004 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 60.4242 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 53.4868 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 55.2105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 36.2573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 32.8057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 23.9489 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 4732.5335 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 32.8206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 59.3043 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 59.0080 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 4315.1055 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 64.3374 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 33.2682 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 57.0661 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 54.9136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 4333.3809 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 34.7562 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 3.5416 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 56.6101 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 6.8211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 58.2380 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 60.5944 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 51.7439 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 4597.0355 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 2.2954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 9.5976 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 32.2535 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 60.9354 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 35.0629 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 58.2477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 33.1919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 60.3635 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 13.3599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 59.2209 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 58.3859 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 2.0805 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 4175.2952 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 34.3041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 25.1382 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 57.8082 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 65.0447 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 5084.1624 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 33.9525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 24.2920 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 14.9623 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 4601.4159 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 64.3704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 1.2092 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 3698.5025 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 3636.5349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 2.0584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 29.6016 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 60.7730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 31.9224 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 4279.7464 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 54.8746 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 4624.1158 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 51.6349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 34.2170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 4738.0109 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 3994.7469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 32.4603 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 1.4899 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 41.4455 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 54.4489 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 61.8886 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 54.3397 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 30.4613 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 4812.9347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 56.8682 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 4459.9039 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 25.3587 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 6.8845 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 56.2716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 58.0194 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 50.1417 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 58.2728 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 56.1146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 55.6196 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 32.4755 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 59.1262 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 32.9371 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 56.2308 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 33.6600 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 4527.0250 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 32.5378 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 5611.1906 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 34.6074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 3559.3928 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 63.5885 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 33.8274 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 17.9109 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 13.9187 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 4900.2215 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 38.5770 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 4312.6933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 6275.9369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 969.7844 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 33.0525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 62.6341 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 1.1544 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 3725.3242 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 33.0060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 3924.6330 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 24.2086 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 4224.0137 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 63.1796 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 25.3733 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 4094.6327 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 35.8395 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 4266.1201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 32.7827 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 5591.1593 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 64.7948 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 33.7835 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 3986.0298 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 55.7025 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 58.5725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 8.3371 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 4937.9222 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 57.3608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 4749.7218 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 4353.0780 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 38.2778 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 29.4131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 13.6967 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 30.5380 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 57.6926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 5577.2384 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 30.5639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 60.9016 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 36.3402 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 17.8216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 33.8862 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 70.3057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 3.4734 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 3838.1655 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 6.7460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 54.6710 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 5188.0815 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 4945.8206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 3.4679 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 2.0932 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 47.6942 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 33.5876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 56.5170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 32.3536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 4961.0828 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 59.7718 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 3.4352 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 2858.3212 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 5074.3156 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 3.9122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 1.0400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 170.58s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.19 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 0.1284 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 4533.6691 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 3.6093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 3.3575 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 4635.9038 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 6030.9847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 5294.0272 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 6613.3689 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 4638.3249 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 5029.5752 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 6.7888 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 41.3557 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 71.2766 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 5581.4648 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 6657.5896 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 5500.1935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 6710.7469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 5189.8520 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 1.8936 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 4394.8582 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 5319.1633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 5497.1962 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 5678.4328 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 6613.6649 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 5725.5900 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 40.7254 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 5534.7020 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 6355.1347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 6194.5121 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 5492.1830 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 6639.4562 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 5484.5926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 6210.4633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 5548.2065 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 5.1751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 53.5656 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 2.7471 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 4119.8639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 8.8057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 6307.2740 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 6558.9156 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 5475.8929 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 1.5035 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 4700.5995 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 237.0840 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 6559.3053 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 5194.2672 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 5616.7105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 4605.6292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 5534.6339 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 6663.2303 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 5811.1523 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 5499.3396 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 191.4085 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 4.1449 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 5876.2739 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 6515.3963 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 8047.0131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 4668.7853 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 43.1601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 229.4002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 5742.3785 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 3.5231 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 4736.9610 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 7.3099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 4257.1722 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 7305.9167 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 5634.4773 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 4.4824 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 5.1316 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 4949.4747 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 2.6084 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 4649.8300 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 1.7338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 4339.0940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 186.5719 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 5730.0508 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 12.4574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 2.1942 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 3.6301 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 4659.4274 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 2.8583 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 3.5111 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 4111.5472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 6103.2296 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 6517.3059 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 4395.1996 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 6457.8083 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 6169.8762 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 4632.8780 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 6189.7150 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 5589.2570 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 6014.1469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 5685.2179 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 5253.5810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 1.6742 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 30.1953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 6715.2146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 5865.9907 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 6007.2046 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 5264.1174 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 6.0305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 6467.8527 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 6349.8141 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 5941.1904 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 6490.7591 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 5523.3721 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 4755.6288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 4783.8619 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 6335.1221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 4457.2271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 6586.1268 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 5708.6906 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 4585.7230 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 5390.7688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 5150.7756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 4616.9438 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 6410.6099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 6544.8009 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 4432.9599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 6763.1949 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 4815.3705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 5562.9289 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 6401.4221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 5348.3940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 3.8928 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 1.4307 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 4192.6711 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 1.5519 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 4546.5852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 5980.3796 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 3.2767 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 4500.1061 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 6775.6267 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 2.6568 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 60.1054 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 7331.5639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 4007.3784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 5710.6180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 6375.7609 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 5665.7870 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 5426.9413 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 5601.6546 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 5971.6910 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 5502.4810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 4717.8320 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 6961.0730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 5352.8772 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 2.4752 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 4548.9162 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 6235.5580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 5771.6116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 4681.2738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 1.7511 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 4424.3039 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 34.6692 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 5470.7301 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 6467.8213 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 2.1972 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 1.9030 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 4065.3592 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 4802.5548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 6.8403 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 4952.1065 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 5836.5328 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 6901.0346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 6140.0002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 6345.6531 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 6285.0697 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 5424.8887 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 6750.8040 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 4770.7801 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 2.0819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 59.3178 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 6755.2463 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 3902.0950 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 8.7920 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 5.2690 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 7883.3802 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 5833.0954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 4488.9262 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 5954.4553 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 6548.0903 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 5437.7918 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 3.4347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 6178.3964 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 6562.3751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 5423.2917 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 5250.0131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 75.6747 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 5345.8404 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 4945.8381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 5801.9220 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 4642.3298 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 4377.1080 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 7535.1248 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 4426.6908 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 1.9752 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 2.4881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 4702.4411 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 5180.1954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 1.9705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 5534.7997 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 5.3115 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 5.3425 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 5362.3968 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 5311.7003 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 5161.5113 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 1.5980 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 4737.1683 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 5702.4781 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 51.1802 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 5521.0769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 41.0969 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 4801.2349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 6463.9250 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 4245.8876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 6127.3370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 5998.1017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 6107.0741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 7219.8851 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 4483.8688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 6.3999 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 99.2346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 5069.4174 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 7911.9480 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 6843.4432 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 5998.7199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 2.3294 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 6694.0037 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 5412.3225 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 6366.4124 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 12.0205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 5477.8365 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 5703.0295 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 4929.1738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 6877.7930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 4257.6620 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 5772.3552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 5588.3716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 5088.8088 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 6177.2933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 39.1118 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 4638.0565 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 6616.0393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 4535.6608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 35.3951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 4.5386 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 5201.8713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 5294.2834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 5632.0581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 5173.6513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 7783.7259 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 6898.8305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 1.2472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 4890.6221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 5872.6585 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 6313.5450 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 5472.5754 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 4824.1695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 4635.8116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 7578.1968 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 5071.1314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 65.5861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 2.1350 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 3731.3364 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 2.7910 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 7155.7832 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 5966.5861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 5863.6485 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 5568.1820 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 5876.0801 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 5215.2727 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 4786.1847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 7.5551 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 5053.6268 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 55.4596 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 3.7816 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 2.0281 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 4711.4267 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 7530.2893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 30.5238 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 4525.1393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 5389.7102 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 5238.1638 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 5570.5116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 5400.7751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 4363.5671 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 39.4829 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 4522.4604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 6041.2960 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 4668.9575 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 34.5008 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 6.6528 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 2.1863 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 37.5599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 4.5760 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 9.3003 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 4499.6568 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 6.8271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 18.2684 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 5425.2229 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 5517.9652 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 5460.3189 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 6591.2347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 34.1346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 2.8361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 1.7187 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 4918.0819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 4822.0533 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 4478.8143 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 6149.5163 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 4300.7219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 110.2173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 5126.8855 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 7023.6199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 100.6211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 5590.4765 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 5496.3945 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 4.0471 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 5120.4127 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 6.5591 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 4989.5306 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 7553.8001 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 4780.3912 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 7151.1408 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 4638.3172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 3.8525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 1.5331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 43.6093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 4903.5300 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 7735.5722 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 6.1860 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 5.6214 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 7.0629 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 5668.0189 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 5078.1827 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 5197.4441 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 5914.3821 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 41.3099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 49.3317 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 38.5642 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 5947.4114 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 33.2703 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 6178.2287 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 5228.1302 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 44.3904 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 3.8700 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 6022.0579 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 35.1405 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 5447.6590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 4633.5625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 5444.3469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 6439.4297 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 7.7625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 5706.5741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 4.0028 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 4272.8701 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 2.1448 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 44.1219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 1.4195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 4788.6158 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 4287.6093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 2.9624 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 3896.1683 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 6913.2632 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 5059.2422 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 2.3321 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 3.6436 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 4543.0561 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 109.8137 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 4844.6511 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 1.6442 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 3864.7810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 4430.2033 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 99.3079 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 6270.0194 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 5367.4364 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 6036.4431 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 90.0704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 34.1483 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 40.5222 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 15.7888 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 4579.9964 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 6576.1216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 4350.7937 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 5.0788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 4863.5237 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 6235.4712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 6254.8957 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 11.2891 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 5216.2368 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 5423.8207 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 6877.4533 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 60.8671 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 5758.9396 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 5899.9177 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 5578.3105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 68.4326 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 229.1420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 6680.1592 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 6021.4020 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 7422.5282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 5425.1255 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 6557.0384 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 5564.7079 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 6467.5625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 5976.4278 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 4777.1812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 4562.0188 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 5.4518 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 4429.7054 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 4908.0140 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 1.6268 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 3721.8458 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 6024.1358 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 6649.3975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 5236.7405 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 4829.1259 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 50.3637 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 2.8189 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 4.1535 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 44.8203 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 5549.8098 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 5710.3099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 5684.0404 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 5.9226 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 3.9233 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 5051.7990 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 4859.3707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 5296.3667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 4.5858 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 4629.9112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 52.8256 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 6547.8966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 4720.7743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 6793.3453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 6594.5355 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 5404.0272 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 4338.6694 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 4296.7483 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 40.7677 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 4601.5489 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 6139.4743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 5436.1420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 14.1255 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 3.6640 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 6026.5584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 4463.8513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 3.3874 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 4353.4744 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 7.1538 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 5180.6447 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 4466.4364 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 50.0224 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 4951.9880 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 42.6836 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 4416.4721 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 6838.7517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 5171.3185 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 5899.6044 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 6824.1932 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 4478.9923 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 4723.1216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 8.2552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 5688.9784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 2.5017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 5700.4712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 4932.3164 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 6234.8526 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 5090.3342 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 5542.7906 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 6199.5949 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 4541.2974 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 5990.8890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 4822.7508 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 52.2381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 5826.4882 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 6440.1910 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 4956.0348 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 42.6122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 4513.4802 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 5969.0323 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 7079.7657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 5675.2377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 5020.2046 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 56.5067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 23.2170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 19.1268 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 4662.4092 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 4913.3347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 3.3809 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 175.1294 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 6622.9909 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 5826.1852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 4348.8111 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 1.8714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 19.2349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 5055.8083 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 7723.8019 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 4354.4756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 5893.5156 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 4968.3931 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 52.7319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 6649.7856 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 4403.7616 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 5560.4705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 5637.9839 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 6397.1302 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 6068.6656 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 6033.2245 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 5662.3022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 6130.1849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 6060.6609 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 33.2840 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 4579.5508 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 6506.9614 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 5760.5425 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 18.5655 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 2.1368 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 4.0206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 3.8576 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 5.0179 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 4.7995 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 5214.2756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 6383.3808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 4686.7469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 2.4713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 3797.8180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 5214.9490 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 6412.0827 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 4524.5271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 5551.5820 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 5696.0767 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 6099.2119 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 5915.4514 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 7574.7724 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 6191.8173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 5461.7707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 5029.0881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 239.4052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 7220.7688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 56.6828 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 6390.1201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 5554.4679 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 5753.7893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 5557.2146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 2.0280 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 2.0578 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 5104.2921 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 43.0764 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 4.2108 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 2.7501 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 4010.1833 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 6269.9283 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 94.5097 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 7203.3343 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 4584.7506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 5371.0146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 6991.7175 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 5138.1604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 6475.9375 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 20.7774 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 7157.4799 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 3870.2166 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 7142.9715 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 4791.2278 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 1.6263 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 2.9935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 10.8022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 4708.2845 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 7205.8253 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 1.1102 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 4998.6976 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 7786.1760 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 5334.7639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 52.5779 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 4.0366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 1.7627 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 6235.6403 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 5834.7120 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 4.2068 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 5081.2838 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 4966.7620 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 7.4336 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 5517.3513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 5570.5195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 5033.3983 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 5583.1389 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 3.8821 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 4280.9421 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 5603.6959 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 70.5205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 54.9210 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 5647.6626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 4488.9880 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 6577.7532 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 4677.9669 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 6541.7319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 6045.5447 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 5162.2595 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 4655.8990 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 68.8172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 7431.4000 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 5405.3378 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 4890.6430 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 7025.4620 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 4696.4717 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 4942.5957 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 123.4142 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 5.3145 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 5.6921 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 6016.4710 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 6361.4353 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 4500.9811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 4544.6741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 2.1460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 4253.2420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 4784.2977 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 5576.8847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 4631.8626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 5490.0013 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 4938.5807 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 66.3625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 5028.6174 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 1.8282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 4913.2095 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 4.3631 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 5.0385 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 5079.9400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 5457.8295 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 5366.2276 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 6525.3587 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 4397.4650 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 5489.8536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 7116.8978 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 4610.2651 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 4932.6036 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 4853.2438 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 5229.0067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 5465.1943 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 6236.2989 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 6854.0067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 190.4428 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 3.0575 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 4828.9546 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 4555.9295 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 7808.5314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 6377.8978 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 5742.1457 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 4190.8377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 2415.3477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 42.5922 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 5333.0400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 5418.1182 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 91.8782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 41.3599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 5683.0076 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 4869.0913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 4753.5782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 41.8476 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 5424.5032 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 6722.1606 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 6725.1448 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 4236.4407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 5614.1551 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 9.7169 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 5223.1074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 4725.3287 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 5811.4545 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 5286.8889 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 3978.9390 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 5141.0119 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 5.5397 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 3.3680 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 4287.5741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 6203.0592 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 95.2559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 1.4598 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 4833.7310 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 6193.4511 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 4846.0319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 4938.4582 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 2.5657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 5175.8986 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 7158.5874 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 4478.3225 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 8.2657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 4278.7370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 9.9935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 5217.0571 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 2.9122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 6.1335 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 5191.4376 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 4667.2226 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 5621.4611 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 6590.5021 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 4938.2123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 5513.4729 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 50.8216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 17.6210 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 24.7686 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 6180.3985 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 5096.8826 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 5413.2136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 5346.7638 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 6886.2775 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 6443.7409 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 3869.2815 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 4660.6824 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 5739.7074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 5593.5881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 5432.4603 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 5.2718 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 5.7688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 5034.2241 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 6908.5193 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 5418.1397 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 4723.1250 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 4991.4102 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 6449.9584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 4327.3345 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 5224.7996 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 4814.1808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 5147.0762 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 17.5536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 5844.9132 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 4577.8395 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 5109.9105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 3710.9394 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 6.9400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 1.1975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 115.0015 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 5648.7453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 5051.6041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 5495.2849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 2.3418 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 4301.4017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 2.6393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 17.8951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 2.7714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 3799.6832 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 5156.1423 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 4762.1831 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 102.3811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 5027.7807 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 5256.5008 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 6642.1308 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 39.3209 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 6.1117 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 5767.9584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 5784.0798 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 6169.4965 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 1.8381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 4725.9314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 7263.0264 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 4739.2693 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 4622.0873 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 5428.7331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 6346.7361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 5639.4309 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 33.3834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 6191.4636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 6173.5766 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 4627.4950 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 5839.9650 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 5818.8996 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 8.7872 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 7.6389 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 1.6731 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 3888.5961 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 5012.8220 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 5103.1041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 5236.4261 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 23.0421 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 113.4298 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 240.6673 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 5724.1221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 5933.5024 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 5785.2103 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 6096.6998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 6140.5493 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 32.0695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 5438.3899 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 1.5852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 3937.4495 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 5.0795 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 4370.2894 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 7.6172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 5403.7116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 4696.1189 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 5725.5172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 6316.5446 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 65.9078 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 6780.6527 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 5393.6464 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 3.9879 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 8.5407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 6006.9795 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 5518.9399 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 6252.6805 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 5790.5338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 5.9075 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 5882.0495 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 7.7967 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 5601.5314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 86.6272 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 5625.6607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 4528.1463 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 6932.1547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 78.5388 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 6699.9929 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 5.3346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 27.8027 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 41.1607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 4720.4340 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 5760.1193 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 6659.7948 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 5.9816 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 26.6828 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 4312.5251 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 5.6845 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 5795.2985 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 4803.4192 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 2.8684 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 5756.4105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 5030.6571 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 6187.5920 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 7220.8006 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 2.3761 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 110.8665 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 5918.4998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 5907.9237 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 4861.5038 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 4853.8366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 5429.1659 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 4.6539 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 1.1982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 4915.7395 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 7149.3146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 4329.4926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 5.3723 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 5016.8371 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 4694.8458 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 6654.6283 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 4437.6691 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 6914.8675 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 4720.7926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 6740.2838 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 6453.9370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 4722.6077 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 5729.5534 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 4369.2982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 5546.2610 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 5657.3270 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 6807.5975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 5495.5600 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 6466.7824 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 5038.3203 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 3.6393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 5106.3783 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 4.4661 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 2.2026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 15.4791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 17.9401 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 3.4043 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 3882.5769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 16.5717 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 216.0696 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 2.4501 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 4270.9311 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 5868.4227 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 4535.8998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 5.7152 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 15.3340 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 50.3999 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 6380.3338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 7482.8521 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 4590.1981 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 8077.0377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 4883.6945 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 5832.7608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 5015.2553 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 4862.0127 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 2.5766 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 4537.2376 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 6871.3880 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 4606.0249 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 2.2390 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 4823.9075 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 2.1034 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 4503.2537 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 7804.4464 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 5248.2814 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 5795.2844 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 6893.7671 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 188.88s (includes QPU queue + RTT) -[H2O] Time/iter: 0.21 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=4 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 4115.1569 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 33.7012 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 42.0695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 44.1381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 41.7617 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 35.3393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 34.9675 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 35.3063 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 27.6109 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 33.5432 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=4 T_total=1.0286 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=4, molecule=BeH2) -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.941342 | Delta: inf | M: 3452.4658 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.833920 | Delta: 1.07e-01 | M: 4044.4136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.817770 | Delta: 1.62e-02 | M: 6509.2190 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -1.556355 | Delta: 7.39e-01 | M: 25.0780 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -4.824463 | Delta: 3.27e+00 | M: 30.9731 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -5.071194 | Delta: 2.47e-01 | M: 4516.1211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -5.347888 | Delta: 2.77e-01 | M: 23.1369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -7.078545 | Delta: 1.73e+00 | M: 57.5310 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -7.193924 | Delta: 1.15e-01 | M: 61.5176 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -7.626978 | Delta: 4.33e-01 | M: 34.5399 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=4 mol=BeH2 terms=666 terms/rank=166 T_total=1.9680 T/iter=0.1968 final_E=-7.626978 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 4 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 16.40 0.0820 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 78.35 0.1020 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 170.58 0.1904 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 188.88 0.2108 -[Results] Saved to results/simulator/simulator_20260416_235706.json -[ 513.55s] Log closed diff --git a/results_hpc/simulator/run_20260416_235732.log b/results_hpc/simulator/run_20260416_235732.log deleted file mode 100644 index ec976e1..0000000 --- a/results_hpc/simulator/run_20260416_235732.log +++ /dev/null @@ -1,3458 +0,0 @@ -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) avai[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[ 600.15s] Log closed -StateVec MPI-distributed (8 ranks) -Iter 0014 | Energy: -0.409132 | Delta: 4.10e-03 | M: 260.6749 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0015 | Energy: -0.415285 | Delta: 6.15e-03 | M: 407.8313 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.413150 | Delta: 2.13e-03 | M: 250.0783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0017 | Energy: -0.410279 | Delta: 2.87e-03 | M: 341.7962 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0018 | Energy: -0.413731 | Delta: 3.45e-03 | M: 2019.5908 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0019 | Energy: -0.415341 | Delta: 1.61e-03 | M: 1596.1290 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0020 | Energy: -0.414812 | Delta: 5.28e-04 | M: 440.1608 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.415110 | Delta: 2.97e-04 | M: 242.0186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0022 | Energy: -0.416220 | Delta: 1.11e-03 | M: 0.8124 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0023 | Energy: -0.415681 | Delta: 5.39e-04 | M: 33.9123 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0024 | Energy: -0.413188 | Delta: 2.49e-03 | M: 0.7086 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0025 | Energy: -0.413405 | Delta: 2.17e-04 | M: 16.9885 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.420886 | Delta: 7.48e-03 | M: 67.3309 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0027 | Energy: -0.421932 | Delta: 1.05e-03 | M: 20.3645 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0028 | Energy: -0.423704 | Delta: 1.77e-03 | M: 29.7670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0029 | Energy: -0.423902 | Delta: 1.98e-04 | M: 27.1589 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0030 | Energy: -0.425555 | Delta: 1.65e-03 | M: 55.5524 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.426032 | Delta: 4.76e-04 | M: 29.4595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0032 | Energy: -0.428081 | Delta: 2.05e-03 | M: 20.4919 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0033 | Energy: -0.426308 | Delta: 1.77e-03 | M: 44.0603 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0034 | Energy: -0.425536 | Delta: 7.72e-04 | M: 26.7814 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0035 | Energy: -0.432150 | Delta: 6.61e-03 | M: 38.4494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.428034 | Delta: 4.12e-03 | M: 21.2324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0037 | Energy: -0.426126 | Delta: 1.91e-03 | M: 34.8481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0038 | Energy: -0.431975 | Delta: 5.85e-03 | M: 25.5627 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0039 | Energy: -0.432206 | Delta: 2.31e-04 | M: 34.1814 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0040 | Energy: -0.439498 | Delta: 7.29e-03 | M: 35.6450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.435992 | Delta: 3.51e-03 | M: 30.2487 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0042 | Energy: -0.434088 | Delta: 1.90e-03 | M: 146.7120 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0043 | Energy: -0.436261 | Delta: 2.17e-03 | M: 73.4799 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0044 | Energy: -0.442139 | Delta: 5.88e-03 | M: 14.9378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0045 | Energy: -0.443055 | Delta: 9.16e-04 | M: 90.0944 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.452456 | Delta: 9.40e-03 | M: 31.9566 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0047 | Energy: -0.450788 | Delta: 1.67e-03 | M: 145.4399 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0048 | Energy: -0.446015 | Delta: 4.77e-03 | M: 98.6402 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0049 | Energy: -0.449972 | Delta: 3.96e-03 | M: 53.2620 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0050 | Energy: -0.461351 | Delta: 1.14e-02 | M: 115.1937 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.457401 | Delta: 3.95e-03 | M: 138.8059 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0052 | Energy: -0.458754 | Delta: 1.35e-03 | M: 406.3977 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0053 | Energy: -0.468033 | Delta: 9.28e-03 | M: 77.5870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0054 | Energy: -0.464556 | Delta: 3.48e-03 | M: 267.3121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0055 | Energy: -0.467731 | Delta: 3.18e-03 | M: 79.8948 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.474267 | Delta: 6.54e-03 | M: 122.6346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0057 | Energy: -0.472280 | Delta: 1.99e-03 | M: 70.9755 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0058 | Energy: -0.480852 | Delta: 8.57e-03 | M: 72.9349 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0059 | Energy: -0.482216 | Delta: 1.36e-03 | M: 170.4465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0060 | Energy: -0.490064 | Delta: 7.85e-03 | M: 138.9030 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.497491 | Delta: 7.43e-03 | M: 62.9833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0062 | Energy: -0.500866 | Delta: 3.38e-03 | M: 113.3126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0063 | Energy: -0.500269 | Delta: 5.97e-04 | M: 341.8132 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0064 | Energy: -0.503942 | Delta: 3.67e-03 | M: 106.4957 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0065 | Energy: -0.515819 | Delta: 1.19e-02 | M: 61.2721 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.515044 | Delta: 7.75e-04 | M: 57.3979 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0067 | Energy: -0.524634 | Delta: 9.59e-03 | M: 110.0499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0068 | Energy: -0.526894 | Delta: 2.26e-03 | M: 68.6860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0069 | Energy: -0.528178 | Delta: 1.28e-03 | M: 46.8604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0070 | Energy: -0.533745 | Delta: 5.57e-03 | M: 210.5272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.533760 | Delta: 1.50e-05 | M: 127.1042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0072 | Energy: -0.540007 | Delta: 6.25e-03 | M: 24.4886 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0073 | Energy: -0.548012 | Delta: 8.01e-03 | M: 15.3127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0074 | Energy: -0.550994 | Delta: 2.98e-03 | M: 115.8126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0075 | Energy: -0.549733 | Delta: 1.26e-03 | M: 54.0986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.548930 | Delta: 8.03e-04 | M: 1569.3704 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0077 | Energy: -0.557313 | Delta: 8.38e-03 | M: 89.5200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0078 | Energy: -0.570625 | Delta: 1.33e-02 | M: 302.7498 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0079 | Energy: -0.569273 | Delta: 1.35e-03 | M: 144.8868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0080 | Energy: -0.570924 | Delta: 1.65e-03 | M: 90.2729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.575249 | Delta: 4.33e-03 | M: 296.7206 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0082 | Energy: -0.574026 | Delta: 1.22e-03 | M: 401.6318 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0083 | Energy: -0.575847 | Delta: 1.82e-03 | M: 327.5704 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0084 | Energy: -0.583277 | Delta: 7.43e-03 | M: 311.4874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0085 | Energy: -0.580814 | Delta: 2.46e-03 | M: 336.2508 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.589661 | Delta: 8.85e-03 | M: 241.5345 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0087 | Energy: -0.590972 | Delta: 1.31e-03 | M: 361.1043 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0088 | Energy: -0.591397 | Delta: 4.25e-04 | M: 2226.7337 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0089 | Energy: -0.601083 | Delta: 9.69e-03 | M: 696.5687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0090 | Energy: -0.607640 | Delta: 6.56e-03 | M: 464.2265 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.605422 | Delta: 2.22e-03 | M: 2268.5694 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0092 | Energy: -0.611042 | Delta: 5.62e-03 | M: 516.0905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0093 | Energy: -0.624251 | Delta: 1.32e-02 | M: 191.0218 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0094 | Energy: -0.631851 | Delta: 7.60e-03 | M: 540.9315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0095 | Energy: -0.643684 | Delta: 1.18e-02 | M: 54.3452 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.642758 | Delta: 9.26e-04 | M: 227.7860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0097 | Energy: -0.652467 | Delta: 9.71e-03 | M: 2139.0343 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0098 | Energy: -0.656976 | Delta: 4.51e-03 | M: 2322.1364 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0099 | Energy: -0.674526 | Delta: 1.76e-02 | M: 0.3751 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0100 | Energy: -0.687939 | Delta: 1.34e-02 | M: 390.1812 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.683986 | Delta: 3.95e-03 | M: 44.8437 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0102 | Energy: -0.702453 | Delta: 1.85e-02 | M: 118.7248 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0103 | Energy: -0.706883 | Delta: 4.43e-03 | M: 101.1859 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0104 | Energy: -0.709110 | Delta: 2.23e-03 | M: 130.1765 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0105 | Energy: -0.716880 | Delta: 7.77e-03 | M: 137.5844 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.717492 | Delta: 6.12e-04 | M: 117.8317 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0107 | Energy: -0.732452 | Delta: 1.50e-02 | M: 421.8409 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0108 | Energy: -0.734334 | Delta: 1.88e-03 | M: 237.7843 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0109 | Energy: -0.738640 | Delta: 4.31e-03 | M: 105.9075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0110 | Energy: -0.749914 | Delta: 1.13e-02 | M: 143.2877 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.756341 | Delta: 6.43e-03 | M: 248.0499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0112 | Energy: -0.774493 | Delta: 1.82e-02 | M: 45.7518 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0113 | Energy: -0.785837 | Delta: 1.13e-02 | M: 42.3248 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0114 | Energy: -0.793677 | Delta: 7.84e-03 | M: 59.7323 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0115 | Energy: -0.811167 | Delta: 1.75e-02 | M: 96.9570 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -0.814883 | Delta: 3.72e-03 | M: 121.0898 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0117 | Energy: -0.827185 | Delta: 1.23e-02 | M: 246.9706 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0118 | Energy: -0.826636 | Delta: 5.49e-04 | M: 70.2857 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0119 | Energy: -0.845874 | Delta: 1.92e-02 | M: 147.1003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0120 | Energy: -0.852801 | Delta: 6.93e-03 | M: 34.2310 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -0.862108 | Delta: 9.31e-03 | M: 78.8266 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0122 | Energy: -0.865461 | Delta: 3.35e-03 | M: 144.9673 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0123 | Energy: -0.883316 | Delta: 1.79e-02 | M: 1557.3101 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0124 | Energy: -0.884685 | Delta: 1.37e-03 | M: 129.6134 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0125 | Energy: -0.906774 | Delta: 2.21e-02 | M: 73.4726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -0.907567 | Delta: 7.93e-04 | M: 97.1455 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0127 | Energy: -0.923621 | Delta: 1.61e-02 | M: 364.3073 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0128 | Energy: -0.918566 | Delta: 5.05e-03 | M: 125.0224 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0129 | Energy: -0.933789 | Delta: 1.52e-02 | M: 93.8734 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0130 | Energy: -0.932681 | Delta: 1.11e-03 | M: 61.7331 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -0.939305 | Delta: 6.62e-03 | M: 85.5144 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0132 | Energy: -0.952581 | Delta: 1.33e-02 | M: 206.3195 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0133 | Energy: -0.956752 | Delta: 4.17e-03 | M: 432.8533 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0134 | Energy: -0.971182 | Delta: 1.44e-02 | M: 64.2147 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0135 | Energy: -0.976093 | Delta: 4.91e-03 | M: 102.5813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -0.985136 | Delta: 9.04e-03 | M: 75.9220 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0137 | Energy: -0.988102 | Delta: 2.97e-03 | M: 92.4725 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0138 | Energy: -1.007704 | Delta: 1.96e-02 | M: 199.0774 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0139 | Energy: -1.013027 | Delta: 5.32e-03 | M: 82.7003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0140 | Energy: -1.029527 | Delta: 1.65e-02 | M: 29.7075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.039300 | Delta: 9.77e-03 | M: 79.5450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0142 | Energy: -1.050669 | Delta: 1.14e-02 | M: 103.5437 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0143 | Energy: -1.060161 | Delta: 9.49e-03 | M: 86.1657 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0144 | Energy: -1.077972 | Delta: 1.78e-02 | M: 311.0440 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0145 | Energy: -1.081470 | Delta: 3.50e-03 | M: 19.2315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.090674 | Delta: 9.20e-03 | M: 161.5585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0147 | Energy: -1.103644 | Delta: 1.30e-02 | M: 490.5726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0148 | Energy: -1.123243 | Delta: 1.96e-02 | M: 129.3324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0149 | Energy: -1.137153 | Delta: 1.39e-02 | M: 18.2846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -NOTE: Energy -1.1505 crossed below FCI -1.1373 at iter 150 - HWE ansatz leaving physical sector (expected limitation) -Iter 0150 | Energy: -1.150469 | Delta: 1.33e-02 | M: 251.5458 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.143093 | Delta: 7.38e-03 | M: 148.0848 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0152 | Energy: -1.164865 | Delta: 2.18e-02 | M: 2053.0433 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0153 | Energy: -1.176185 | Delta: 1.13e-02 | M: 90.9007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0154 | Energy: -1.194438 | Delta: 1.83e-02 | M: 879.2485 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0155 | Energy: -1.188110 | Delta: 6.33e-03 | M: 188.3314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.196242 | Delta: 8.13e-03 | M: 0.8385 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0157 | Energy: -1.203483 | Delta: 7.24e-03 | M: 64.1525 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0158 | Energy: -1.216629 | Delta: 1.31e-02 | M: 95.3779 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0159 | Energy: -1.232879 | Delta: 1.62e-02 | M: 2472.6232 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0160 | Energy: -1.246408 | Delta: 1.35e-02 | M: 0.7312 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.245264 | Delta: 1.14e-03 | M: 50.3502 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0162 | Energy: -1.252229 | Delta: 6.97e-03 | M: 0.7874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0163 | Energy: -1.252536 | Delta: 3.07e-04 | M: 0.7509 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0164 | Energy: -1.257031 | Delta: 4.50e-03 | M: 53.3542 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0165 | Energy: -1.261565 | Delta: 4.53e-03 | M: 4142.2286 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.264501 | Delta: 2.94e-03 | M: 0.6911 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0167 | Energy: -1.284042 | Delta: 1.95e-02 | M: 39.6562 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0168 | Energy: -1.292514 | Delta: 8.47e-03 | M: 51.9553 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0169 | Energy: -1.304968 | Delta: 1.25e-02 | M: 394.3572 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0170 | Energy: -1.312048 | Delta: 7.08e-03 | M: 1539.1926 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.325148 | Delta: 1.31e-02 | M: 0.6675 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0172 | Energy: -1.322627 | Delta: 2.52e-03 | M: 466.4581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0173 | Energy: -1.338047 | Delta: 1.54e-02 | M: 77.9843 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0174 | Energy: -1.349696 | Delta: 1.16e-02 | M: 63.7600 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0175 | Energy: -1.350252 | Delta: 5.56e-04 | M: 48.3581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.360269 | Delta: 1.00e-02 | M: 75.2880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0177 | Energy: -1.376067 | Delta: 1.58e-02 | M: 716.4459 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0178 | Energy: -1.393075 | Delta: 1.70e-02 | M: 66.2654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0179 | Energy: -1.398986 | Delta: 5.91e-03 | M: 43.5244 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0180 | Energy: -1.410395 | Delta: 1.14e-02 | M: 33.3223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.428907 | Delta: 1.85e-02 | M: 40.8629 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0182 | Energy: -1.431473 | Delta: 2.57e-03 | M: 109.1324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0183 | Energy: -1.440299 | Delta: 8.83e-03 | M: 64.1500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0184 | Energy: -1.444169 | Delta: 3.87e-03 | M: 17.7848 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0185 | Energy: -1.455166 | Delta: 1.10e-02 | M: 40.6361 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.459344 | Delta: 4.18e-03 | M: 265.0333 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0187 | Energy: -1.459682 | Delta: 3.38e-04 | M: 62.4793 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0188 | Energy: -1.472817 | Delta: 1.31e-02 | M: 131.3595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0189 | Energy: -1.479830 | Delta: 7.01e-03 | M: 8.5098 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0190 | Energy: -1.477121 | Delta: 2.71e-03 | M: 127.4967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.486511 | Delta: 9.39e-03 | M: 17.3027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0192 | Energy: -1.500004 | Delta: 1.35e-02 | M: 48.5036 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0193 | Energy: -1.504101 | Delta: 4.10e-03 | M: 12.4034 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0194 | Energy: -1.503086 | Delta: 1.01e-03 | M: 26.0439 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0195 | Energy: -1.515735 | Delta: 1.26e-02 | M: 35.4337 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.523943 | Delta: 8.21e-03 | M: 17.8464 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0197 | Energy: -1.531804 | Delta: 7.86e-03 | M: 41.6501 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0198 | Energy: -1.531041 | Delta: 7.63e-04 | M: 28.7726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0199 | Energy: -1.545755 | Delta: 1.47e-02 | M: 66.5556 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0200 | Energy: -1.558169 | Delta: 1.24e-02 | M: 47.6279 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.137153 Ha (error: 0.0001 Ha) at iter 149 -[VQE] Final energy -1.558169 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.137153 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0001 Ha -[H2] Iterations run: 200 (best at iter 149) -[H2] Wall time: 19.89s (includes QPU queue + RTT) -[H2] Time/iter: 0.10 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 0.0241 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 74.9390 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 12.5668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 48.0115 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 8.7687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 13.4535 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 28.4512 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 10.1000 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 14.0667 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 42.3398 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 15.9426 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 23.2111 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 19.8880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 14.3214 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 12.5693 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 10.4880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 18.8805 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 16.5554 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 17.4687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 8.7592 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 17.1763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 13.9950 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 11.8507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 14.1360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 14.2860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 7.6065 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 15.9604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 11.0773 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 12.7160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 16.3351 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 12.2351 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 11.6383 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 21.9720 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 16.8197 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 35.0442 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 40.5896 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 21.3101 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 8.3761 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 65.4040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 9.6933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 14.4443 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 32.6835 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 85.9016 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 18.3963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 22.2668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 2793.0104 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 10.7605 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 19.5360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 2912.1031 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 11.2887 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 1396.3870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 34.3530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 14.5617 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 2560.1937 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 2827.5466 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 25.4046 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 15.5050 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 91.8474 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 13.1298 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 2444.8513 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 20.1961 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 40.1176 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 32.8671 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 22.6238 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 40.0961 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 12.3248 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 55.3668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 28.9358 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 13.6982 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 0.9158 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 98.6604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 90.6932 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 54.2497 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 2809.1191 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 17.5763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 85.1185 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 52.6008 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 17.3810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 0.9422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 85.5967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 0.8110 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 16.1810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 22.8726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 10.7451 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 83.0575 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 212.1764 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 10.9974 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 0.8802 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 26.2886 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 20.7462 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 13.0762 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 19.5626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 13.7400 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 28.2615 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 0.8488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 11.4629 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 18.6199 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 27.5060 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 29.5205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 14.7525 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 13.3223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 17.8379 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 2607.6023 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 33.3290 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 33.4507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 12.7548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 34.3961 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 17.5581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 2658.5097 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 32.8175 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 20.7275 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 93.9678 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 12.0761 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 15.5702 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 31.1463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 20.7187 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 16.0062 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 10.1392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 2174.3507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 16.9345 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 28.4752 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 17.6272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 27.0665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 18.0332 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 13.4239 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 15.9927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 18.0976 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 17.8918 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 13.0401 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 31.9969 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 14.1071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 60.9516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 18.1148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 21.5262 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 16.6258 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 48.8654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 14.4941 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 18.0810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 21.6335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 32.6752 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 94.8216 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 24.7335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 2405.2394 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 2660.6808 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 28.7953 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 27.0687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 49.2922 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 8.1694 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 2.5078 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 14.6983 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 3.5846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 3.7549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 2675.4064 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 4.0363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 2.7850 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 5.6071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 8.1409 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 3449.3423 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 10.4141 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 17.4936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 16.7223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 19.9841 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 19.1324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 2687.1782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 10.7505 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 18.3146 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 2865.2907 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 25.7976 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 21.2731 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 26.7767 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 10.5485 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 23.0397 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 43.8665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 11.2680 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 2859.3667 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 42.3488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 11.3724 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 27.8508 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 40.3923 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 8.3122 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 13.9233 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 20.4913 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 28.3580 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 29.3790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 15.4533 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 19.9112 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 20.5222 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 45.3948 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 23.3746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 33.1166 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 31.0784 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 24.0239 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 34.2449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 38.3138 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 45.8203 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 14.3745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 16.7604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 16.0244 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 55.5296 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 15.4447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 32.3690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 30.6071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 17.8817 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 84.0732 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 103.8542 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 0.8344 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 2663.7925 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 2959.7471 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 66.6800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 2715.9790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 55.6239 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 2178.3504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 83.3687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 60.9051 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 77.0698 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 77.2335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 0.9316 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 2686.4273 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 0.9011 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 52.0806 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 2231.8519 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 84.2129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 82.0789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 2603.5692 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 2912.7582 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 82.8479 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 0.9980 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 5013.3020 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 12.8379 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 2798.0669 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 2757.5262 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 77.0783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 2695.6787 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 0.9332 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 88.7061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 2921.3421 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 2896.9595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 76.1631 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 2800.1750 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 73.1746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 2599.6964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 0.8635 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 1772.1441 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 2432.9810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 77.3884 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 81.7626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 78.6876 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 80.8715 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 2639.8463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 2753.2967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 77.9750 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 52.9802 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 79.7328 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 2719.8499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 2957.8703 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 2804.0985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 2778.3268 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 2933.3435 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 2753.2842 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 2871.1306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 76.8712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 2789.0454 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 2895.4070 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 2659.0436 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 2588.3653 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 2803.4729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 2868.3676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 82.6143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 2418.1165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 2675.9668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 79.7872 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 2827.9846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 43.9832 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 17.7748 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 2792.7716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 43.3159 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 74.2363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 86.0022 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 2609.3722 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 77.8489 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 58.7832 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 2782.6272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 67.3271 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 63.6253 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 2105.3986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 23.7887 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 2852.3203 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 64.9602 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 2764.9324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 88.4229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 2184.2788 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 65.9845 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 2663.9455 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 2731.3223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 2902.2098 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 3014.4269 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 62.7868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 2856.9118 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 77.2486 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 79.2798 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 91.9395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 2727.8740 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 2719.1581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 2793.6067 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 2083.7994 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 2790.6563 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 75.4449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 2647.0271 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 80.2672 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 2687.2900 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 79.8864 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 54.9796 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 2869.1504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 2748.7677 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 84.8180 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 2927.4221 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 2210.2494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 76.8963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 78.9997 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 2145.5531 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 87.4839 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 16.2584 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 2696.1957 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 2457.8781 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 2985.9039 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 2794.9705 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 2647.8553 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 84.8355 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 87.4066 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 2897.2715 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 2711.3987 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 2721.5554 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 81.4370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 2810.9321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 2797.1747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 77.6473 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 16.1548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 33.2689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 2835.1644 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 0.9316 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 47.1624 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 9.9528 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 99.9075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 30.0916 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 24.8076 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 8.9701 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 22.7394 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 21.5825 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 2795.8985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 19.6121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 9.4713 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 28.1628 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 78.5559 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 13.4021 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 0.8975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 92.1637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 23.5834 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 21.9267 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 0.9452 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 18.0126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 13.8510 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 19.1392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 2709.1009 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 18.4889 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 31.6747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 27.3149 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 22.5615 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 4886.0042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 10.5806 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 23.2399 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 24.3416 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 0.8001 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 83.8407 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 22.5429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 55.9661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 51.0177 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 10.9676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 87.6805 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 45.1837 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 0.9169 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 23.3934 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 2585.3133 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 22.7969 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 94.6131 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 2503.2178 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 2663.6295 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 2451.0668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 0.8683 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 34.0743 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 48.4593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 16.2427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 89.9351 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 2252.2535 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 15.9657 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 2518.9483 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 18.3382 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 2712.5813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 15.2121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 55.3652 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 2801.0738 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 2009.7792 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 14.9965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 2789.0379 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 18.6326 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 1682.0780 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 22.7905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 102.7500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 13.9295 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 27.4296 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 14.6412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 20.5850 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 55.7413 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 2483.4914 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 11.7739 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 22.4375 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 12.7006 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 72.4660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 10.4754 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 37.4745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 16.1086 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 11.3306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 14.4985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 2749.6967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 16.4458 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 16.8843 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 22.3449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 2665.4427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 17.5678 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 31.6526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 21.8582 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 2719.6895 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 10.5868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 2747.6420 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 2771.0790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 15.8499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 89.0378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 17.0232 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 2701.1481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 13.5697 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 19.1658 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 2875.4995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 84.0763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 44.3877 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 17.5655 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 112.3191 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 10.8402 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 2831.5061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 2644.7017 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 28.2725 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 19.7051 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 2589.4942 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 39.5172 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 22.0401 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 28.1729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 22.3710 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 14.5885 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 21.9645 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 48.0091 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 89.2649 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 2593.7026 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 25.2835 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 27.4956 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 2880.1397 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 21.3137 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 2719.7165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 22.6226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 2826.9370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 22.1083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 2647.7797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 2749.4229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 27.8518 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 2787.4815 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 2741.7905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 1.0095 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 2044.6264 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 10.3929 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 88.3259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 81.5950 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 18.8946 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 4.5288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 34.2612 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 9.2466 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 33.4818 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 16.2007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 10.0313 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 87.0209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 39.3473 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 16.1271 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 2667.6226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 25.2129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 13.4526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 13.3586 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 0.8636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 31.0998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 12.1488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 11.0346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 40.4644 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 10.3342 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 0.8886 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 8.8043 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 14.0920 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 13.0625 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 24.6792 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 2722.4792 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 82.6090 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 43.7461 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 2698.7283 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 4739.8813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 10.2879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 2864.2517 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 2413.8793 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 19.9254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 2438.2707 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 0.9620 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 2660.5500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 2676.7143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 53.4074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 2777.6393 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 2849.2695 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 78.3018 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 79.1188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 2811.9767 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 2690.3827 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 80.0227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 2099.5087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 0.9144 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 46.3179 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 2752.8552 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 2862.4389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 80.3378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 83.8954 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 81.4302 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 85.7465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 1.1042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 39.0222 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 2793.7584 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 2675.5675 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 2872.8184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 2804.6091 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 2726.5751 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 2711.1164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 79.7931 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 2720.9734 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 2864.9456 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 2700.1973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 2618.5757 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 2808.9921 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 2638.3902 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 30.2264 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 2695.6376 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 78.4405 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 2789.2259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 2900.9992 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 2186.1727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 2835.4421 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 2545.4377 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 79.4851 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 2681.2498 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 56.8030 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 46.3996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 19.2333 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 29.7608 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 81.4664 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 50.5515 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 99.0155 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 99.0277 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 99.9742 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 21.9596 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 102.0999 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 31.8038 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 27.0964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 15.0003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 20.1298 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 28.7297 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 22.7700 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 16.9260 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 12.6022 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 22.2779 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 50.3511 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 11.4747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 20.9960 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 43.6349 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 46.8428 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 98.0882 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 90.7435 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 12.1949 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 14.2005 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 21.8654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 13.0638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 15.3915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 35.6398 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 24.6261 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 31.7075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 36.7253 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 29.9328 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 21.1255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 40.7207 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 36.8940 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 17.5003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 37.5532 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 52.9385 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 2732.4107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 17.0396 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 47.3662 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 92.9775 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 24.4179 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 2647.8641 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 1.1002 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 14.4450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 50.8033 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 24.2830 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 47.6104 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 25.0626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 16.8321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 11.5449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 53.6431 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 28.7550 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 34.3973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 26.8448 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 19.9432 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 11.1916 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 35.9973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 28.4689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 24.1160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 17.0451 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 9.1725 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 18.0636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 12.8687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 18.7354 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 25.6632 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 1.0121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 51.6022 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 2341.9395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 18.7238 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 17.7189 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 42.5378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 24.1486 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 22.3990 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 0.9856 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 13.3816 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 24.9007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 20.1052 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 28.1828 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 34.9162 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 28.3171 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 87.8493 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 27.2805 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 164.0927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 12.5023 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 12.8591 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 17.1293 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 27.5702 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 2869.6838 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 19.3999 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 89.7415 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 19.4840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 19.1820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 1.1162 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 25.4317 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 11.6198 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 86.4192 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 23.2632 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 91.3845 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 26.7826 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 15.8521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 15.8108 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 24.5447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 51.1314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 11.4637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 15.1903 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 12.2002 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 1.0309 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 99.1039 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 11.6906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 19.3423 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 60.2449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 11.8218 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 48.1613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 12.9416 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 0.9736 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 14.1854 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 12.8547 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 17.1665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 12.6173 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 77.6338 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 14.8378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 98.7754 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 11.4812 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 31.0945 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 12.1395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 26.8771 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 26.3902 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 55.2950 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 9.2862 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 30.0660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 11.4460 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 27.5477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 14.8689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 44.7607 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 17.3356 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 28.3681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 13.5506 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 22.3163 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 2901.1337 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 28.8055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 24.7742 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 28.9223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 14.5483 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 20.5510 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 29.8373 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 14.1909 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 2959.3975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 16.6959 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 23.3661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 2923.2237 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 28.7832 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 32.3042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 26.4845 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 22.4422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 16.9841 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 54.5030 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 19.9001 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 2948.5530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 13.4914 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 20.6590 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 22.0251 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 29.0097 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 34.8789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 16.7174 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 23.1016 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 2774.3148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 35.6526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 47.0984 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 30.6935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 42.3614 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 16.3548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 122.0972 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 31.6392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 94.1227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 51.8321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 42.1072 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 0.9164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 16.3993 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 17.1954 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 15.5233 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 28.8540 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 17.8241 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 59.0612 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 20.0670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 2464.8525 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 14.5807 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 2861.2908 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 2716.9113 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 2247.3971 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 2855.3588 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 2710.0227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 2790.3121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 638.0570 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 23.2007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 20.4105 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 52.1138 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 16.2893 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 28.0820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 48.3206 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 28.1077 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 15.9538 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 25.9789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 46.8079 | Path: GPU-cuStateVec MPI-distributed (8 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 87.82s (includes QPU queue + RTT) -[LiH] Time/iter: 0.11 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 0.1480 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 5419.1764 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 2473.2116 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 30.4443 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 4141.0288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 3.1613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 9.8016 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 3.5566 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 10.2465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 3544.1191 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 27.7050 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 3.5563 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 2.5022 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 3514.0783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 28.7996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 1.5017 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 3.9648 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 5.0503 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 20.2007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 27.7747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 22.6419 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 77.3074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 4385.5883 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 3344.1324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 32.1109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 4151.2595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 3778.3712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 4447.0610 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 4146.4132 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 29.8851 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 4065.2626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 11.3437 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 21.7772 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 5723.4934 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 5628.5676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 5289.8074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 60.6014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 27.3205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 3397.1181 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 5750.3654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 28.5691 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 29.3041 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 40.7533 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 6166.5734 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 5113.9490 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 4698.6571 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 4056.8031 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 30.2416 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 19.5756 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 4.7476 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 9.1500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 23.9305 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 4682.6364 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 62.0269 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 23.1596 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 29.1988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 12.1909 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 44.1128 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 2.6638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 3295.2873 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 4023.8848 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 5.8482 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 2.2083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 41.6810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 2.0389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 221.0586 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 2.6400 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 25.3922 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 2.3175 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 46.0558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 50.5106 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 6.5665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 27.6699 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 4031.6231 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 22.0790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 33.4869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 22.3893 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 50.9561 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 30.0101 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 5463.8781 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 31.4359 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 3426.0438 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 1.6154 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 13.7170 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 3253.1013 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 57.7260 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 28.3281 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 53.8108 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 32.5090 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 30.7116 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 166.2492 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 36.1506 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 54.6463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 3870.2018 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 55.7082 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 89.7906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 1.7912 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 5148.4975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 22.1833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 5.4618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 6.8314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 2.6597 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 2.5113 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 3199.9880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 21.5412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 3566.1504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 4375.0882 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 28.6045 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 4905.2132 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 11.9297 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 3008.4305 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 2.2456 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 23.4104 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 3717.8544 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 5056.5053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 29.9155 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 4509.2397 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 18.0542 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 58.9479 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 15.3606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 3018.9556 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 1.1656 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 67.2773 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 2893.0451 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 35.8209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 2.4745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 4.0659 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 22.9660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 155.9568 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 31.9066 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 5660.7913 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 29.7380 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 5141.6565 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 5454.7556 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 4150.8341 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 33.7025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 4264.9771 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 50.5316 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 4482.7698 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 34.3622 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 5363.4784 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 5.8866 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 6.6774 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 4892.2042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 24.0564 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 52.6577 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 29.6643 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 3482.5080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 2943.8059 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 29.6937 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 4856.8250 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 4146.2518 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 27.7601 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 31.4593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 53.1325 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 54.7530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 29.4892 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 27.6286 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 4081.5429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 53.5465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 38.0985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 4543.8038 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 23.8361 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 3458.8025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 14.2447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 3954.4966 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 50.8394 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 34.1363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 59.3522 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 3913.7440 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 3.2788 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 11.4263 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 29.8685 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 48.9217 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 3.7683 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 3032.0951 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 3796.1766 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 30.4522 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 4097.2404 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 56.5964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 29.4912 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 29.4604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 4.8840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 3.4491 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 5.0360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 14.8839 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 2.1604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 29.6687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 3493.0921 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 54.3573 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 4919.7252 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 27.9637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 5064.7574 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 4389.7308 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 3.6449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 37.6609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 52.8078 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 2.6148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 4.9186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 6.1027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 28.1257 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 3.4729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 4816.5152 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 21.7289 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 51.7532 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 4958.5519 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 5941.7477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 5319.8585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 3817.9814 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 5458.1318 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 29.6744 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 468.2933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 50.5148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 4.2346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 28.3118 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 49.9251 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 79.6084 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 2.0678 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 24.3224 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 7.1042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 4200.1707 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 1.4433 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 3255.7166 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 2.1683 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 24.3444 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 53.2661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 32.6677 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 4.3335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 49.0463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 45.3629 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 54.3109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 52.6746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 27.8965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 3648.0619 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 47.1605 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 30.7708 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 49.4639 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 49.0652 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 4440.7885 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 3655.2605 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 3989.7462 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 4687.7259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 5119.3158 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 22.3358 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 49.0125 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 29.7111 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 29.7500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 20.9144 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 3665.2676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 29.8731 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 5527.9677 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 34.3363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 27.7892 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 50.0895 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 32.3705 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 4.6741 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 3075.0789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 29.5646 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 28.5420 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 33.0837 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 4795.0792 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 3.4782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 14.5673 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 123.3460 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 32.7574 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 3785.3104 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 52.1702 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 4160.5089 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 4031.8659 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 15.9186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 1.9962 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 159.4804 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 4853.0530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 3952.8196 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 4592.6531 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 10.4068 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 1.8012 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 5.5730 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 26.7156 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 57.9021 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 23.3757 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 4461.6833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 4685.2759 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 28.6717 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 4179.7151 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 4010.5614 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 2614.3253 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 56.9368 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 30.7412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 70.7117 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 27.9555 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 4725.1905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 4233.3032 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 30.5131 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 52.4767 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 30.9373 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 22.9032 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 5.1675 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 45.5556 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 42.8394 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 7.8592 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 4174.8905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 5092.4370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 52.1200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 4362.5560 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 3552.6176 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 61.4069 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 4572.4869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 3882.6617 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 61.1390 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 51.7503 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 23.5255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 4777.0469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 5819.2541 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 4890.6833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 37.7589 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 4517.2554 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 2846.7970 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 49.9778 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 5.7449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 48.2860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 22.1769 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 4836.8346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 6.2670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 27.9604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 4376.7322 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 1.7435 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 1.9599 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 41.7748 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 1.6581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 43.7422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 57.9980 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 3897.3517 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 4.3090 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 43.0877 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 3669.8653 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 4711.2841 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 3866.9481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 24.6703 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 4687.7134 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 5171.0635 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 3.1507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 19.8874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 82.9466 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 56.8427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 7.9162 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 19.2203 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 55.8071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 3.8040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 30.7341 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 49.6429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 56.4073 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 56.8164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 29.6180 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 26.8517 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 3221.1003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 35.2900 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 30.3446 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 30.0237 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 2550.3398 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 36.4728 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 48.7977 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 50.4788 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 31.5831 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 50.8602 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 51.7040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 28.6900 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 3486.0585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 52.5100 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 4.6240 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 4292.3107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 4.1522 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 11.4250 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 4.0861 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 2.4115 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 3559.8709 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 2.6308 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 6.6209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 1.6507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 29.8707 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 31.6020 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 51.9209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 2.1387 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 15.9439 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 49.0927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 4709.3960 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 5.7266 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 33.3583 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 4829.3065 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 5424.9265 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 50.1109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 48.8808 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 28.1686 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 4761.6499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 4954.3815 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 49.0025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 3631.2849 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 25.6593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 4090.9752 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 4019.3127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 7.4027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 30.2037 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 4070.3982 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 6.5464 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 4.6927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 44.8897 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 10.6739 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 29.1055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 32.6107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 51.7501 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 2498.3055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 54.2880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 8.8797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 3386.8038 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 21.8721 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 31.7915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 21.8777 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 4277.4595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 4005.9564 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 55.2127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 151.6068 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 32.3375 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 3925.9306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 44.6486 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 2.9505 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 4082.8694 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 61.1326 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 30.1835 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 3950.9434 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 2.0714 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 16.1748 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 3.7026 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 3.0869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 3563.9279 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 2.1859 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 1.4818 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 3229.6760 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 4849.5938 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 3900.6128 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 3.4618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 66.6457 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 55.3313 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 4484.9452 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 28.2836 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 52.0422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 29.2413 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 3851.9604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 33.5561 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 4338.1333 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 3.8875 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 1147.7404 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 25.5662 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 1.7012 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 38.6501 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 60.0600 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 3960.6304 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 3477.0504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 7.7945 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 21.3698 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 33.7991 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 7.5067 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 27.0229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 4330.8695 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 3795.5809 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 51.3507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 56.4661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 22.3295 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 55.3243 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 4681.2172 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 38.4803 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 4562.9533 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 7.8662 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 3531.7971 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 4518.1229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 48.4168 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 3836.4852 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 30.7467 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 4353.4915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 52.3618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 31.3236 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 4197.7170 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 3734.2198 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 1.5714 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 3093.1050 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 3705.6558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 55.5901 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 16.2892 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 3389.2143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 0.9500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 97.9618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 4024.9329 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 2774.0363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 1.5324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 41.6587 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 4.5740 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 20.6543 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 3697.9919 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 3300.2709 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 31.6074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 4420.1451 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 12.4402 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 3.1037 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 41.9253 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 3049.2469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 53.2535 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 30.4098 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 29.9987 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 1.3820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 51.4322 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 50.6727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 3880.0078 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 4811.9047 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 52.9529 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 4.4521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 33.5606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 56.9511 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 51.3931 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 2.3757 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 29.1289 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 49.0382 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 67.7701 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 52.0330 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 34.0319 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 2763.8000 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 49.8319 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 51.0213 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 26.1660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 3286.3669 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 4295.0109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 51.3025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 5204.4936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 30.8006 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 6220.7596 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 4094.2514 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 80.5141 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 3.8477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 7.7370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 4057.9997 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 6.3044 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 3748.6412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 3833.1486 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 3.6161 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 91.8776 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 120.1938 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 6.6783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 2.3371 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 3174.9083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 147.9440 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 6.0520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 46.5762 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 51.9571 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 61.7197 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 53.0004 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 14.7268 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 3.6590 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 3413.3352 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 50.7868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 18.9298 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 5.2670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 6.5526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 3946.1411 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 3.7581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 46.4675 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 20.9188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 4.2868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 3514.2423 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 4519.3279 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 34.2619 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 34.7973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 2.6462 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 3395.7251 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 1.8768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 17.8949 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 28.1400 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 5454.7419 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 30.2479 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 5035.9727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 62.1214 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 2.6630 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 1.1314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 42.3123 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 6.1162 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 4074.8357 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 4142.4168 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 5.3166 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 45.7632 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 31.1521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 6068.4523 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 1.4231 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 23.9336 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 30.1095 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 29.1534 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 3168.2670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 2.9072 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 1.5913 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 39.1302 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 2.9315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 2.4788 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 2.0332 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 40.8959 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 30.7631 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 48.3549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 31.3027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 3633.2638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 4081.1929 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 59.6005 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 4058.5188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 51.3092 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 5601.8472 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 4511.0295 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 53.3171 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 46.8639 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 5535.4746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 27.5289 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 4039.1110 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 52.1507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 52.7255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 57.6727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 4044.2272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 3724.0216 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 133.9896 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 31.6868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 4504.3608 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 32.1558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 118.4252 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 3672.4198 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 4.3289 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 15.1606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 6.4183 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 6.6110 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 3628.3089 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 33.5054 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 4178.4781 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 51.7521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 28.1373 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 19.5648 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 61.9790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 1.3312 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 3.9068 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 30.1953 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 81.3130 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 4.7985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 28.3087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 4412.0062 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 3894.1764 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 3119.5975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 28.9717 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 2.9452 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 3261.8541 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 29.0291 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 48.5211 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 3.9946 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 4098.8335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 28.8695 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 57.3944 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 52.4867 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 3352.3174 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 4.8169 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 53.9007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 3505.4021 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 3111.2011 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 3246.2342 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 2.4185 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 2.0083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 5.7337 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 3889.7689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 2.6300 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 5.6120 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 11.4210 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 10.2609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 11.4520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 2.9355 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 48.0447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 17.5377 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 50.3340 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 29.4036 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 2309.8318 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 3875.2884 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 76.0070 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 62.6309 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 16.6646 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 2602.2154 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 9.6970 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 3.1176 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 4.7017 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 50.2704 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 28.1803 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 27.5473 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 50.8254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 375.7613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 4098.4512 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 52.3971 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 59.2396 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 5.3074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 1.9840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 3.8115 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 1.4883 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 9.5075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 10.9840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 31.5935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 11.1964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 3172.9184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 5282.0910 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 3538.8734 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 1.5749 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 36.5310 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 52.7690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 21.5444 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 14.1878 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 4213.7191 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 3880.1043 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 28.7941 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 22.0007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 30.2957 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 3243.1573 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 36.1366 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 3524.6429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 10.6391 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 21.5151 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 50.7669 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 29.9689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 3.9860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 4.2638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 4.3965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 4.8858 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 4214.4494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 53.7205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 28.9780 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 3478.6194 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 30.6762 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 22.2574 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 28.9321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 3795.4681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 9.1647 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 4574.3973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 4204.0852 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 3634.8099 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 28.9539 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 68.5771 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 38.1872 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 3719.5275 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 3694.5797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 6.9385 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 5.0339 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 4351.0712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 4092.5085 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 78.4204 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 1.4954 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 8.0291 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 2384.3968 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 4326.9919 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 3.5408 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 2.2838 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 1.5676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 3.1650 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 1.3014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 4.2132 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 1.8726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 13.6440 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 19.3256 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 46.8353 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 4247.5689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 4143.8637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 52.2469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 27.6606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 4234.2504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 47.5921 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 1.9636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 7.3760 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 45.7150 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 51.1000 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 60.4933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 3.8227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 2895.0565 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 43.2666 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 4.3204 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 4.3840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 4227.3317 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 574.0200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 12.2548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 5302.2577 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 54.0347 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 2.2927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 3433.6051 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 26.2200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 61.6768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 3358.0156 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 3693.2273 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 46.9490 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 2.0723 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 3044.8561 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 8.4636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 3079.6061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 2.5888 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 26.7595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 30.3800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 4245.5614 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 56.7716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 3764.3660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 4590.9546 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 1.5746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 10.7651 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 19.9288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 33.0627 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 38.5096 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 4160.4552 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 1.6583 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 1.7711 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 3033.6918 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 30.8173 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 5.4641 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 12.9506 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 34.1082 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 54.2716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 2.5196 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 3669.7392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 12.2251 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 47.5793 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 45.9071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 22.7479 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 2993.3000 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 3618.2834 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 1.4950 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 3334.4267 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 59.4150 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 2927.1288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 3483.4281 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 33.5642 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 27.1091 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 19.5220 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 29.1801 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 48.8034 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 63.3429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 24.8816 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 3.3199 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 4894.7657 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 2825.7685 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 4.5150 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 41.3133 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 643.8628 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 34.9898 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 23.7813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 3609.1365 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 36.8690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 2246.1113 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 5.2820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 4836.4708 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 50.2126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 56.5218 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 30.8998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 30.1549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 4.8499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 4084.3274 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 5.2244 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 8.2514 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 6.6082 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 1.8448 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 7.1209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 3653.6364 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 1.9915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 39.5248 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 694.7130 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 67.9496 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 1.7427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 4.4966 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 16.2427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 28.7504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 4093.0988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 235.5823 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 59.2426 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 2370.2255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 2.7794 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 4325.6093 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 58.9599 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 4136.0127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 35.9614 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 6.9181 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 3.4304 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 65.3729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 35.3360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 4539.7768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 2.6439 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 11.2681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 3880.8847 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 33.0232 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 4688.7121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 51.5333 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 28.2591 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 154.0381 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 2576.4790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 7.8727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 15.5539 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 51.7776 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 3516.1236 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 28.6579 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 19.4763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 177.69s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.20 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 1.9873 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 3290.9099 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 49.3995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 94.5274 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 4703.5014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 3.8820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 3662.1422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 3862.5777 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 5227.0272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 4919.0697 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 5018.8303 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 4849.0501 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 29.7851 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 3639.3029 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 4633.1076 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 5077.4687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 8.7051 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 55.3617 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 3.1786 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 4.5620 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 4535.0922 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 5238.0343 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 4528.0530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 3559.3070 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 6.3401 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 87.8933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 53.1412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 4644.7927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 4318.3528 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 4773.2294 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 4394.5157 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 3745.8385 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 3235.1794 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 4113.5984 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 3775.1964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 4714.0061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 4490.3052 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 3438.6149 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 4969.8010 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 4939.2995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 4391.7526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 120.5867 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 4615.0064 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 4202.2988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 4549.2229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 42.9782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 4144.8165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 5.4217 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 7.3791 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 4.7105 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 4932.2288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 4858.2633 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 4401.0111 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 4.6419 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 4245.4997 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 3542.4182 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 5.3844 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 4536.2160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 8.2776 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 4447.9426 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 56.1858 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 71.7138 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 3900.7442 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 8.1009 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 28.2112 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 3664.9076 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 4134.0626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 17.1371 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 3750.6508 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 20.7651 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 9.9558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 11.0446 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 4871.0847 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 6.4264 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 4151.8220 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 4178.2245 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 57.3103 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 5735.5593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 52.8262 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 4693.3833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 76.4407 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 49.1624 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 4953.7783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 5118.4520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 4690.2151 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 4552.1223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 19.7909 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 5084.0121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 4360.8846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 5286.7110 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 5749.8082 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 4051.4420 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 3832.5996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 46.0243 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 4.0053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 3862.9712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 2.1292 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 1.8516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 3.2538 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 3000.9187 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 3590.0199 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 11.7782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 3.4387 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 3.4672 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 4295.0464 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 4070.2716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 4.2265 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 3993.3145 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 52.8548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 4215.6334 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 44.5998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 2.9286 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 3.2069 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 23.4127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 32.4787 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 5561.3437 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 2.1306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 1.4040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 21.0858 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 4492.8656 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 4955.6017 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 3695.2347 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 31.0327 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 4327.3413 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 4118.9274 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 3142.3299 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 5755.4544 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 4058.5130 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 5.4393 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 2.6370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 3310.3350 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 3024.0947 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 47.7037 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 3.7492 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 3438.5722 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 1.7965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 3337.6052 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 3705.3277 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 3736.6001 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 3661.6175 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 3912.3469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 3.7703 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 223.8066 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 1.6678 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 3708.7347 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 30.9982 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 4859.5738 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 4632.9674 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 3501.9109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 5233.1980 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 4614.6093 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 3.7768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 4779.2856 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 4827.5401 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 3450.6754 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 29.8129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 5445.9543 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 40.5773 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 3440.8693 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 3.7107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 40.3721 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 57.0487 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 6380.5661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 30.9712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 2.4462 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 9.8468 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 6400.1796 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 4614.4152 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 7289.2273 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 3782.8134 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 3619.6269 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 5782.0080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 3830.9159 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 5250.9670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 4915.3570 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 7103.8080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 29.2585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 5046.9619 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 5969.4984 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 4449.3663 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 5886.9516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 4377.8871 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 54.5920 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 4561.3762 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 25.1631 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 4208.5632 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 4.2255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 2.0259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 2.1962 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 4.1856 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 4096.9139 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 35.8032 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 4697.7811 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 19.7584 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 4808.4566 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 4650.6745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 4756.9519 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 5228.6213 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 4478.1696 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 96.1258 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 23.5681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 17.3272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 4351.7212 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 3725.0775 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 3748.2420 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 4379.5244 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 3802.1687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 56.1121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 5435.9935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 4253.1522 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 3998.4585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 3717.5642 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 1.6793 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 3529.9613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 34.0126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 6374.0194 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 4457.3460 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 2.2611 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 4130.0760 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 3614.6203 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 3954.1202 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 3.7413 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 8.0028 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 4751.7084 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 4662.9979 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 4738.0948 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 6.8834 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 2.8321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 4.6599 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 3587.3336 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 3903.0808 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 4982.8059 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 5904.4911 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 3823.0869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 4650.7684 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 4.2504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 4129.8565 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 4515.5654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 4652.2141 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 4730.9175 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 2.6720 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 4368.9842 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 3418.5594 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 4931.3340 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 3707.6997 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 3.8134 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 3.8048 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 12.1961 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 1.7626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 3.9382 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 100.1386 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 5.4436 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 4347.6293 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 5027.6549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 4286.4421 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 4965.9928 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 4184.6335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 4951.4907 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 5435.7481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 3910.6350 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 4481.7782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 5826.8629 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 4096.9174 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 70.9245 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 5198.0628 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 2.1257 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 15.6488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 3864.6652 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 4754.9879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 6274.4750 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 2.1558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 5190.5461 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 6136.9226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 5502.8562 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 5731.0736 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 31.2284 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 5752.7390 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 4166.2461 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 5144.3583 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 5308.7755 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 5546.8334 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 6328.2666 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 4160.6188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 3.1599 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 6.4802 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 5117.4391 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 4637.0435 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 5460.8887 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 4417.7986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 4474.0341 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 5459.4638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 4501.1715 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 4564.3790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 4566.5728 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 5346.2511 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 3500.5215 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 1.6990 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 4187.9674 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 4662.9821 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 4774.0685 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 4388.6315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 4617.9081 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 4184.7459 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 30.3736 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 4822.8472 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 31.4393 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 44.6202 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 30.5714 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 4176.0247 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 6696.8220 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 5163.4469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 6232.7433 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 4087.0043 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 4902.2901 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 5766.6299 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 60.4443 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 6574.9555 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 299.8020 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 2.0317 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 2.8015 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 2.9995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 49.9252 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 5319.0736 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 1.8800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 14.3249 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 4801.6626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 4150.6543 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 55.1975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 4991.0332 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 3806.5800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 4527.9041 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 4528.4450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 4146.6304 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 3216.0547 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 3768.5929 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 5.1045 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 51.1207 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 4869.4254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 3998.0344 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 5200.1521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 4153.4493 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 3141.4731 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 4501.6849 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 11.0936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 6284.1318 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 49.4894 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 5638.4574 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 3742.6463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 4428.4649 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 17.5274 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 3721.9935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 4098.0514 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 4.0768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 5222.4547 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 2.2399 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 4773.7160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 46.5924 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 4723.2444 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 3803.6309 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 6188.1567 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 3149.5610 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 2.2231 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 6.0640 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 4552.3214 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 4002.2566 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 19.9439 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 19.2560 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 7.9665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 43.7371 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 4453.7967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 5.2894 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 2.4899 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 3790.3780 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 22.7996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 9.3609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 3808.0579 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 1.5952 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 4.2597 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 3.0129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 3.8276 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 62.0053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 4547.0685 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 4905.8275 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 62.1226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 159.7814 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 23.2986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 3587.2382 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 29.8008 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 2.7988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 3734.0800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 4156.7206 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 4.4635 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 27.9379 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 4805.9906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 4128.9637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 3785.8465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 4251.4099 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 8.2858 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 4228.5616 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 4248.6438 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 5.4879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 3.6833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 2.9994 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 2.0098 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 5.0963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 4742.0102 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 4691.0164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 267.6932 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 4.8971 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 44.2161 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 3.9455 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 6.8745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 2.1948 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 6.7622 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 3.4024 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 5376.9609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 4978.6389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 3480.1084 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 10.2879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 27.7587 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 83.4970 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 39.4029 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 5918.5686 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 87.5412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 6.5966 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 45.6717 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 5023.7998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 4377.7284 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 5319.3813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 2.2883 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 20.6936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 3853.5923 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 3.2229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 3646.9306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 3.8640 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 3137.0564 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 265.3842 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 4739.6562 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 35.9073 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 4115.2780 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 4865.1165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 32.8055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 56.3651 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 4709.1661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 5730.7310 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 5460.5231 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 5213.8580 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 53.2380 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 5530.4874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 69.3160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 4630.6657 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 4048.8844 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 5.6361 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 6.2062 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 55.9076 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 5176.9026 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 5051.7755 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 4614.1468 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 29.5879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 5538.4963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 5401.3837 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 4521.5544 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 38.8061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 3678.1935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 3497.6666 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 47.5597 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 3362.0803 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 26.7740 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 3.6983 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 3872.4095 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 4232.9100 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 3898.7644 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 3641.7995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 3718.5902 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 15.4465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 3967.9463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 30.3148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 2.0184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 259.1768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 45.3172 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 4870.9093 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 56.2745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 5.0211 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 3984.4143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 5091.3716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 31.7494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 5010.3837 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 4442.0349 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 4.0259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 25.4821 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 4806.1053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 5253.8389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 4.1606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 6.6347 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 5501.2570 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 6121.9679 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 91.3074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 4.2262 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 2.1304 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 2.9063 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 3237.5985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 3768.7381 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 5998.5322 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 5655.0994 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 4713.5691 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 16.3970 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 4392.3414 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 4712.2029 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 31.3549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 4545.9245 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 4891.2403 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 4.6205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 32.6408 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 3.7124 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 3893.5381 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 4435.8494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 4409.0655 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 5153.7133 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 6209.6271 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 5644.8165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 31.0383 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 3674.7364 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 46.3770 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 7.3855 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 22.1211 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 3838.3591 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 3.5529 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 7.0803 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 4679.7818 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 4870.0527 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 14.6525 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 3362.0945 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 5417.9918 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 6599.2898 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 77.5326 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 1.2044 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 45.3903 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 58.4986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 30.5072 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 50.1464 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 6283.1933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 5713.4609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 49.1777 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 5234.6520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 5483.3763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 18.8874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 5.9205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 4204.8571 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 2.2070 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 25.8178 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 50.7055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 3884.6119 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 4852.9838 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 31.1448 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 808.9616 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 3687.4432 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 4234.4272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 29.5013 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 3569.4516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 4605.0128 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 4710.7748 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 4135.6733 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 3865.6897 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 3999.6372 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 3453.4158 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 3626.3254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 5641.8934 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 4596.4200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 3656.5855 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 4615.2292 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 4173.6465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 2.4652 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 5.5907 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 18.9558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 23.4825 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 4618.9050 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 3442.3807 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 7.4768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 4933.9023 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 5189.8995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 3850.8210 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 6097.4618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 2.8797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 1.1662 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 10.0783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 88.3541 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 4939.8272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 4795.8668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 2.8892 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 5.1977 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 4588.8669 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 5336.9606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 33.0424 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 5822.8849 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 55.1429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 3790.8186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 4265.9965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 4844.0077 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 28.9593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 4804.7164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 5772.9167 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 4373.9578 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 4532.4002 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 5570.8925 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 5236.4737 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 4116.8620 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 5480.7819 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 3.2384 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 4.9190 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 5794.1861 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 4121.7816 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 2.5376 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 17.8839 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 5420.4992 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 6564.3582 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 19.5653 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 29.8087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 4505.4243 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 4134.5795 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 2.7448 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 1.9495 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 2.6731 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 2.6121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 10.3746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 5441.1474 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 3394.4151 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 4.7355 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 4.8276 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 1.1164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 3084.9459 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 3554.9007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 5.4139 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 24.5639 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 1.5447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 4144.1284 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 4007.3978 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 1.3197 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 25.7242 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 51.1589 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 16.0184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 3447.2014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 1.9800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 8.8483 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 51.9998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 5924.4943 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 5271.4659 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 29.4287 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 4334.9628 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 50.8389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 5539.9516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 5696.6179 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 5554.8229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 30.2509 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 47.5373 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 3398.5258 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 4251.1049 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 3892.6765 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 4373.9694 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 5382.9436 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 6973.6395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 5044.0087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 6935.2254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 4666.6947 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 3410.0891 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 57.1185 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 4554.9833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 6819.0434 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 4937.8392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 47.5183 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 4062.4106 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 5943.8712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 28.5087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 5644.4658 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 18.5117 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 54.1789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 5123.5280 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 73.2521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 5599.7383 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 6121.9025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 4066.4243 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 20.5031 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 5058.4677 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 3812.6094 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 6.2353 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 3769.8334 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 4322.2118 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 3930.1797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 4048.3830 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 4113.3871 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 1.5520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 4634.6618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 5108.1402 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 55.9226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 5058.4754 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 2.9027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 3431.9080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 2.6681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 3876.3506 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 4109.9951 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 2.6083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 337.8213 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 9.1848 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 14.3606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 2.2797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 4689.0107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 4347.8188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 3869.7374 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 12.4636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 4252.7212 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 5137.2739 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 3074.0161 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 25.3749 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 62.1987 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 4432.0457 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 3757.6810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 4875.1405 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 4753.4325 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 4147.5189 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 4.0089 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 2.9521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 34.9024 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 5012.5615 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 4999.6936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 4460.2410 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 48.4007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 4623.1932 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 5320.8190 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 46.1053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 18.8809 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 2.5869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 3975.1915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 4840.0781 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 3726.8796 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 4617.3201 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 5387.3025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 4791.3925 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 5218.3314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 3965.5847 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 5288.8266 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 5718.8715 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 4654.7483 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 50.2392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 9.0906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 5228.2819 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 4830.8958 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 4639.7995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 3745.2143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 3.1496 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 31.4034 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 4073.4768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 4836.4918 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 1.5346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 36.0169 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 19.3123 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 2.8185 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 4082.8421 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 4473.8336 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 4463.6637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 2.5442 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 25.2227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 313.7896 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 5113.4291 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 3964.9454 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 3989.9853 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 59.0895 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 41.0534 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 5696.7190 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 4300.4747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 4.1235 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 8.9372 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 18.7186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 14.0851 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 4780.6441 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 5012.0360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 4767.8770 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 3918.8090 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 45.6756 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 29.1481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 11.3097 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 4544.0450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 3948.4360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 4749.4786 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 5021.1495 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 3838.7827 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 2381.2956 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 26.3028 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 31.2640 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 10.3154 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 23.9545 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 3507.7864 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 5675.5558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 3663.8811 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 2.4860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 4775.6592 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 3932.2888 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 1.4996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 9.7115 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 47.2091 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 4993.2903 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 3681.2174 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 2.7335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 6.3057 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 7.9129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 10.9270 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 8.8763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 23.0354 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 3768.4843 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 48.6239 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 4641.4716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 5241.0922 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 2.8775 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 25.3006 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 6.6933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 3753.1512 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 4689.7477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 4.9870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 4686.5189 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 4549.5129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 5297.7034 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 4233.3934 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 2940.6380 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 19.5775 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 4730.2041 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 6503.4963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 5278.6990 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 3443.9956 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 4496.0644 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 4620.7351 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 25.8568 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 4644.3626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 4276.7682 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 98.2484 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 4047.2042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 5216.0870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 3747.1155 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 4631.6690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 4377.0467 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 3905.3880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 6003.2920 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 5688.6354 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 3655.6927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 2971.0718 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 5717.6213 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 48.8154 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 5205.8205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 4996.7883 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 4075.9935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 3298.2906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 23.8052 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 4827.0112 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 6243.6870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 6491.4646 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 5755.7156 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 2.3204 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 2.2503 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 5101.9609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 7034.7236 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 4962.5846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 5269.1986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 22.5880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 5511.8492 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 55.6504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 3259.4338 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 5092.4012 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 4236.9750 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 4223.4659 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 4345.4199 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 52.1988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 4102.5145 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 4346.3080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 4431.7588 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 152.1315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 4200.5473 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 5115.1815 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 5516.2391 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 3932.0923 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 4846.2200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 5188.8543 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 6088.3740 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 4885.7558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 1.6184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 2.4430 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 4000.9088 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 2.7395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 4227.0613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 30.7112 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 5131.8354 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 4727.0218 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 3.7738 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 4571.8742 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 9.6671 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 5589.4909 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 5095.6201 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 12.4140 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 30.7806 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 4783.5375 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 178.63s (includes QPU queue + RTT) -[H2O] Time/iter: 0.20 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=8 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 1.6641 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 9.4080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 29.5513 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 24.4919 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 1.2014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 13.0040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 27.6698 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 29.5779 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 17.2477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 18.5153 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=8 T_total=1.4154 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=8, molecule=H2O) -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.286324 | Delta: inf | M: 0.0282 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -3.745387 | Delta: 4.59e-01 | M: 148.9283 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -40.863624 | Delta: 3.71e+01 | M: 2.7700 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -45.124842 | Delta: 4.26e+00 | M: 3277.1205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -54.826634 | Delta: 9.70e+00 | M: 11.2976 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -54.779163 | Delta: 4.75e-02 | M: 3619.8064 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -55.208796 | Delta: 4.30e-01 | M: 5535.1690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -55.331311 | Delta: 1.23e-01 | M: 3559.2250 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -55.587289 | Delta: 2.56e-01 | M: 4979.5348 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -55.695238 | Delta: 1.08e-01 | M: 4835.8937 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=8 mol=H2O terms=1086 terms/rank=136 T_total=14.1058 T/iter=1.4106 final_E=-55.695238 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 8 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.137153 +0.0001 Ha HWE (adaptive) 0.342 200 19.89 0.0994 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 87.82 0.1144 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 177.69 0.1983 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 178.63 0.1994 -[Results] Saved to results/simulator/simulator_20260417_000732.json -[ 600.15s] Log closed diff --git a/results_hpc/simulator/simulator_20260318_112038.json b/results_hpc/simulator/simulator_20260318_112038.json deleted file mode 100644 index 4fb2fd6..0000000 --- a/results_hpc/simulator/simulator_20260318_112038.json +++ /dev/null @@ -1,2855 +0,0 @@ -{ - "timestamp": "2026-03-18T11:20:38.197634", - "backend": "simulator", - "git_commit": "unknown", - "mpi_ranks": 2, - "gpu": false, - "molecules": { - "H2": { - "energy": -1.134895749429611, - "tier": "hwe_adaptive", - "score": 0.34179044679391635, - 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ECC | -| Fan Temp Perf Pwr:Usage/Cap | Memory-Usage | GPU-Util Compute M. | -| | | MIG M. | -|=========================================+========================+======================| -| 0 NVIDIA RTX 6000 Ada Gene... On | 00000000:11:00.0 On | Off | -| 30% 21C P8 25W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ -| 1 NVIDIA RTX 6000 Ada Gene... On | 00000000:61:00.0 Off | Off | -| 30% 49C P2 286W / 300W | 46622MiB / 49140MiB | 75% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ - -+-----------------------------------------------------------------------------------------+ -| Processes: | -| GPU GI CI PID Type Process name GPU Memory | -| ID ID Usage | -|=========================================================================================| -| 1 N/A N/A 2956339 C python 46612MiB | -+-----------------------------------------------------------------------------------------+ -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) available -[Stack] Initialized 2 MPI rank(s), GPU=enabled, SV_backend=GPU (cuStateVec), backend='simulator' - - ---- RUNNING CHEMISTRY TASK H2 --- -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036757 | Delta: inf | M: 9955.1041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.034346 | Delta: 2.41e-03 | M: 3596.5457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.041786 | Delta: 7.44e-03 | M: 2680.7979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.022947 | Delta: 1.88e-02 | M: 3334.9332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.039845 | Delta: 1.69e-02 | M: 2947.7045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.032940 | Delta: 6.91e-03 | M: 3718.7945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.038593 | Delta: 5.65e-03 | M: 3675.8918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.034324 | Delta: 4.27e-03 | M: 3283.5324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.038720 | Delta: 4.40e-03 | M: 112.6559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.038716 | Delta: 4.22e-06 | M: 3893.0577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.041388 | Delta: 2.67e-03 | M: 401.0331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.039931 | Delta: 1.46e-03 | M: 254.8335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.046354 | Delta: 6.42e-03 | M: 19.6068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 2587.6542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 297.3599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 356.4046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 3113.3210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 296.0984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 3816.7655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 336.0943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 3006.2306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 3866.3148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 5718.2642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 3346.4048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 361.6628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 3714.3705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 3857.7053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 3860.8609 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 2578.3094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 3817.1930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 3801.4177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 3867.7883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 3758.8343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 3527.2208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 3803.8770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 341.6753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 467.6047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 349.4090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 3858.9369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 3811.9619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 196.9903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 3972.5555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 3827.1400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 3888.2929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 3800.3158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 3867.4852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 3851.3476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 431.3239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 348.3582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 19.3472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 2833.9966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 3972.3710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 3869.8315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 3829.8482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 3812.3723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 3858.6029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 3950.9733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 3789.4450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 3798.0860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 3863.7617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 34101.1775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 3847.1887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 4020.5271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 3884.4991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 3858.7761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 4150.2524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 381.8206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 331.6887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 354.3082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 3982.0943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 321.6419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 3968.1060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 4034.4074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 4120.8259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 3839.4998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 4046.2143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 4100.8091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 3966.0272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 4113.7172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 3987.1820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 4150.9561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 4077.7077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 4115.5252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 249.2311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 4070.5656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 289.4844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 4053.5781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 152.8797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 30.2502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 3610.6104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 3991.3098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 411.0002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 391.4618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 3878.8890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 3970.3130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 4021.9388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 4010.3290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 420.7458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 4014.7535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 186.9981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 442.2964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 349.9519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 291.3264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 330.3640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 160.3346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 221.7598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 229.6412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 324.4055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 3848.1073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 3976.1022 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 4100.2730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 4011.6438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 4093.8511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 301.3098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 3980.2516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 4015.8227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 4010.5975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 3981.2769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 3988.4456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 215.4676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 3930.7568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 313.5313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 3997.5210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 4039.8145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 3856.5616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 170.4044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 3944.7127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 22.6147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 2301.6407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 3904.5108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 3824.2863 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 3972.1416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 3838.4250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 3816.5180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 3972.5908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 3872.1131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 3795.7358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 3866.6081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 3844.6756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 3852.6202 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 3864.8522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 3587.9143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 3699.7840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 3760.6101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 3788.0382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 3825.1633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 3823.7502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 3724.3882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 3840.5176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 391.5516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 3698.2506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 3834.1857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 3945.3764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 3870.2944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 3840.1737 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 2943.2151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 3403.7305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 3452.0230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 6326.1286 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 123.9621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 115.9692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 126.1094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 119.9115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 94.2844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 84.7212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 422.5805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 100.4118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 255.1176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 174.2562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 159.1455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 371.5075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 304.3651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 85.5492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 235.3390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 248.7471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 224.4476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 164.0058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 114.1684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 101.8481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 74.8181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 154.3849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 157.5397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 134.3294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 167.6718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 289.0485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 113.3103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 4022.6133 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 280.4408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 298.8970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 271.2827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 272.9492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 176.9367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 116.3867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 278.4236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 3959.8652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 3989.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 283.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 3939.6625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 178.5431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 3923.8404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 16.05s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 1.3020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 4525.2252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 4666.2289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 5016.9869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 4645.6125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 4925.4466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 4996.4099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 4672.1082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 4757.2667 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 4835.8877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 4954.3471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 4804.8572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 4612.9798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 4866.1447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 5053.4105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 4891.4894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 4780.2225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 4975.0749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 4834.5263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 4875.7222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 4859.1284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 4819.7442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 4822.6371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 5054.2423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 4806.1425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 4954.0032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 4849.5445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 4800.4782 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 4771.7738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 4533.9633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 109.3285 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 4927.0075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 109.6760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 2708.4294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 4986.4413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 4918.6006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 24.7185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 4840.5434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 121.6365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 5067.0934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 4968.3738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 5191.8415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 5112.6566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 4944.6267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 5073.8684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 4953.5130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 5069.2076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 5131.0606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 5039.6447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 5215.6149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 5205.3166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 5128.1330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 4947.1666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 5081.8229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 5136.8220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 5247.2238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 5228.4785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 5204.6226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 5017.8827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 136.7085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 5267.7681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 4989.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 5028.9146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 5040.4176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 5045.6395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 128.9579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 5094.3573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 5072.3268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 4903.9777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 5145.7765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 5000.7970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 5069.5090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 5098.2557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 5213.4417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 1.0050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 5490.5282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 86.9856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 124.1410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 5106.1529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 5076.7666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 5039.0442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 5251.3072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 140.3078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 116.3622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 113.3815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 115.2433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 110.3529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 128.8591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 108.7829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 116.1223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 111.2575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 111.9872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 4889.9608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 5149.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 4930.8730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 104.0934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 129.2565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 4912.6619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 4958.0178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 4885.6058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 4096.8417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 131.3254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 111.8253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 4889.2815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 120.0434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 5062.9559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 114.0896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 5013.7104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 117.1732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 118.9792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 4956.5005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 117.2363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 4924.8741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 4945.2309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 119.4682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 122.0259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 116.4716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 4889.6374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 125.0883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 4835.5952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 5060.4277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 5057.8712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 3139.6371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 4928.1766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 36.2582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 4751.9434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 4837.5248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 115.4927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 115.7924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 4833.1463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 5051.7000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 122.6804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 4777.7954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 5204.0382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 4899.0476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 106.7630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 116.5912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 4988.6965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 5035.1077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 111.7665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 126.1161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 5173.2678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 114.6783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 126.5696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 126.8860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 5079.9221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 4941.7496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 5010.1194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 4923.2540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 106.8826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 4974.4274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 4996.7504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 4864.3340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 4879.7479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 5054.0313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 4991.7410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 4812.1954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 3753.3557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 4874.9335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 4914.6360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 4975.8097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 4751.1960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 4846.9328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 4907.3825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 5004.6551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 4845.4713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 4960.2894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 4930.3781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 5081.5889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 5128.6115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 111.9215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 118.9049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 4776.7164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 5015.6512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 4723.1452 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 26280.8922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 196.6750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 4708.0506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 4900.8970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 4723.9056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 4983.7663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 130.6494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 4886.7478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 110.8773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 4782.5587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 5003.7464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 116.5971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 4704.1298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 4751.0107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 4717.1583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 4873.0997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 4783.9549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 4714.6753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 4838.7642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 4831.7412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 4991.9482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 4752.1854 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 4767.8261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 4762.9724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 4664.3229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 4877.4810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 4835.5217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 104.7989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 3761.9620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 111.4055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 117.5846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 86.4242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 112.8024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 119.5039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 4647.1033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 112.9623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 0.9948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 4319.8490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 124.2799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 4784.7768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 5708.4389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 95.4693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 113.1754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 4647.5948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 127.1575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 116.1616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 136.7140 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 4941.0299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 120.2075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 4925.3097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 5126.6634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 4857.2881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 125.6366 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 120.6053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 4898.9508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 129.9328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 4934.7254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 4881.1851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 4980.7690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 4897.5213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 5051.7842 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 125.6959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 5093.9478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 112.7621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 5098.9900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 113.3446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 103.0974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 111.5183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 5085.7907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 112.4373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 119.0019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 116.5732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 112.2535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 114.3175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 109.3916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 111.6922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 4892.9513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 108.8422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 114.1574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 116.2562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 111.3815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 4786.2095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 98.8373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 115.0823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 112.9446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 98.9920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 80.0476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 5043.3081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 93.4717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 115.3533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 91.2577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 85.8380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 89.9778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 82.8821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 106.2920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 107.2247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 119.3881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 4934.4630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 104.0111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 106.4556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 79.7603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 103.8121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 112.1889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 105.9418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 116.3993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 106.1301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 127.0035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 104.1061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 103.8802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 105.5941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 121.0536 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 112.8145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 121.5378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 115.2598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 96.1778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 106.9972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 5032.5678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 4932.4267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 131.5691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 5112.4876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 119.8340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 4694.0898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 4815.3688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 5059.8357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 5059.3887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 5099.8651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 4987.1022 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 4450.1311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 4752.7087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 4664.4482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 4643.7016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 4843.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 4847.9245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 4834.6381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 4708.1347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 4763.3194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 4660.4908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 4789.9313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 4846.0359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 4722.4258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 4926.9627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 4801.4585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 4697.9210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 4710.9079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 4713.3356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 4878.1778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 4973.9090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 4804.6868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 4913.3290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 4765.8701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 5061.7270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 4919.5261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 4960.2579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 4952.1148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 4987.3913 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 4881.6116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 5017.1722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 4874.2388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 4890.0472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 4162.1158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 4725.6392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 4451.7828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 97.2759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 126.5658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 85.1070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 76.1452 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 125.9497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 116.0933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 116.2189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 117.5570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 104.2307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 111.4163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 119.3451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 112.1631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 1.0603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 4263.4391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 134.4877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 96.2074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 125.9109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 110.6723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 4044.9256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 92.4487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 136.0003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 149.9631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 150.6173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 150.1262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 122.1523 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 4720.0341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 4965.9397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 4915.6742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 4921.0547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 4929.7731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 4956.0768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 4987.1469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 5016.6419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 4916.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 4860.8300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 4361.9927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 4770.9187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 4916.9594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 4884.3604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 5005.8279 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 4924.9501 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 5027.4453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 4932.5271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 5024.4418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 127.1766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 132.4502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 5128.4106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 4954.2710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 4961.2588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 4996.3678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 5033.0808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 4795.0502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 4962.2250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 4828.8684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 141.2553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 4756.3355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 4936.0118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 134.6437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 5011.7019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 140.2822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 4699.6033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 4941.9494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 4945.6706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 4882.3853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 4898.1520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 4772.4182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 4919.2606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 5039.8184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 4769.2335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 4994.0065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 4981.6812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 4863.5045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 4712.7451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 142.6219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 4783.7035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 4581.9031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 5010.5312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 4888.4962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 153.5953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 125.4666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 4693.8519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 4897.6048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 4924.7673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 4811.6764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 4853.8889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 4941.5184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 4806.0583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 4933.7349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 4825.8799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 4894.2367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 4805.8319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 4283.4922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 4577.0648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 4792.8992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 125.9282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 4948.4190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 4681.7263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 4615.0882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 4764.1620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 4917.5910 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 4836.2009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 4441.4811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 4768.8895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 111.3226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 103.2681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 114.2988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 4661.5115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 4637.1014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 4650.6797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 122.1402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 4592.7019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 108.5294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 4607.4818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 4751.5836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 4795.8338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 107.4265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 3692.9950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 4088.2106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 109.5620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 4568.1638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 4642.2617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 115.3104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 4603.7846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 4720.4597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 4971.4684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 107.7904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 4785.3281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 4850.6099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 4803.9902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 4685.2511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 131.9470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 4841.0022 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 5054.8502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 118.7219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 5182.3135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 4960.5145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 5233.8657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 5085.2159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 862.1689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 4428.9867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 5064.4099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 5015.9638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 152.0585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 122.2768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 151.0314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 5193.6625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 110.7544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 125.2601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 129.3033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 90.6037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 88.9539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 1.0233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 4587.0442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 129.5342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 128.8918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 100.5361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 79.7614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 91.8425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 4686.1510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 37.8410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 74.2308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 118.9751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 131.8277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 94.2892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 129.0043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 5103.5474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 162.4350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 5128.8565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 111.2678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 124.8738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 5185.0322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 106.4334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 5189.8743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 108.9583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 5278.3250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 104.6762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 100.0170 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 82.6556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 5025.6330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 92.3258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 80.0689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 74.8597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 5232.8193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 94.5196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 5264.1764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 98.0116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 82.7757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 128.3299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 121.7964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 85.8603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 80.3807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 93.6594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 5138.2697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 78.4199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 96.7670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 5293.1510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 129.9034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 144.9541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 115.5633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 93.1992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 108.2506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 105.2850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 88.8157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 73.1989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 5370.7921 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 123.2300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 5284.5293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 5261.9619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 5350.2148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 5013.4256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 133.5524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 5278.9287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 5275.2914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 5207.2960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 137.1864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 5177.8928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 5099.2198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 5329.0755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 5398.3006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 5386.5583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 5004.9158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 5261.9923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 5395.4219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 87.5205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 133.9146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 5203.6242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 4693.9660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 5360.9584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 148.8019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 145.7877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 5295.8483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 5184.4288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 5338.1524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 120.4933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 5285.5621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 5079.5095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 5108.4747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 4937.3892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 138.5405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 5103.6714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 138.6595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 137.9058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 4330.1901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 5226.3155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 108.6812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 5288.2951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 137.8109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 4907.9375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 116.8426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 4855.3051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 5099.5711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 3932.5572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 4918.5109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 4780.8434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 133.3918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 127.9835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 5086.9594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 133.4451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 113.1736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 114.6096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 88.8885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 111.1565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 99.5871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 115.0936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 5102.0637 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 128.5578 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 4880.6380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 132.3506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 4908.3105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 156.7391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 143.4095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 4974.7939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 4814.5008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 4853.4733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 4890.5283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 5959.7121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 186.8042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 4908.3813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 4609.6075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 5063.6078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 4757.5155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 4290.1788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 5169.7082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 6033.8311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 4629.9118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 4815.0565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 4943.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 4814.9440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 1.1108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 4330.2706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 4606.5751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 4928.5256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 4815.0281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 4926.4241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 160.9887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 4937.0046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 4926.2366 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 4874.0665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 4861.2781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 78.2387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 4946.7433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 5065.9122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 5089.0656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 4999.8326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 4795.2069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 118.6721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 4884.6420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 5020.4021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 128.3906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 5026.6156 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 5160.6755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 4961.2842 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 121.7053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 4721.7886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 4882.6834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 4906.2331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 4923.7041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 4783.6030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 4816.3321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 4921.7159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 4783.4370 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 4813.0877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 4691.3262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 5104.4841 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 121.1865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 5310.8112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 5079.5565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 116.7651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 5154.7601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 115.2127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 109.3803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 142.4862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 108.8489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 5158.5559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 4933.0290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 91.8465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 4721.0745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 5143.8084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 5147.8224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 121.7253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 121.5507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 127.4425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 117.8447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 5087.7592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 124.0922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 122.5008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 4848.3683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 4980.9793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 5170.1013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 5099.4312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 114.6155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 121.2145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 5119.7555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 366.9995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 5020.6718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 4894.0238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 5063.0604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 4998.2579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 5027.9615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 5203.6810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 4910.8557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 4932.0983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 4916.6181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 4903.8052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 5035.4090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 4994.0879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 4979.5661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 5019.6713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 5048.3702 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 5005.4881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 5103.8180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 5095.2956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 5139.7988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 5058.3353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 134.9237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 5107.7056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 4806.8004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 4953.1818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 5333.2737 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 4985.3827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 4144.3799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 4768.4777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 4943.3884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 5094.4106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 3815.1664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 4802.0255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 4942.4700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 4921.2180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 4779.1790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 4809.1726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 5048.3841 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 5091.0518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 131.4056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 153.1384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 4991.7446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 4799.8474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 4839.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 4939.3325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 4940.1205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 4349.6941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 4875.7134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 4774.4935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 1560.6375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 4823.1101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 4706.9065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 4775.8992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 4855.5709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 5028.3234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 4687.2748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 5083.8183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 4960.2338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 117.6509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 5068.9786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 109.8281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 109.4268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 117.2464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 120.0372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 5085.0656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 102.6781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 4965.0274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 5046.6471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 4914.6792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 5150.4621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 119.3034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 124.8061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 5014.7906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 1.0754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 4436.9707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 146.1228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 4809.9940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 3569.6082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 79.34s (includes QPU queue + RTT) -[LiH] Time/iter: 0.10 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 6443.0542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 6624.1189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 9307.3970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 8202.6250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 7728.4862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 9153.6989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 7112.6372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 8067.4311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 8064.6374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 10150.2690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 7683.2699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 9754.5674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 7175.0796 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 6977.8652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 7683.8487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 10148.4878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 8344.6148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 8528.8499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 8416.0692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 8047.1088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 8539.5902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 9669.9059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 8452.6337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 9192.4485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 7754.2751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 8008.8961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 8569.7715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 8349.6753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 7270.5591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 7984.4766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 8180.2312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 36.9813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 7862.6328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 8025.8567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 3.5079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 8618.6848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 7999.0948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 9864.8420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 7505.3142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 7627.4997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 8286.5016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 44.3088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 10030.6412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 8822.3417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 1.4176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 6665.9264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 6855.1502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 7342.5115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 86.6788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 7804.9334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 6633.1839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 8274.3514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 8553.6397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 8421.1998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 8004.9914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 8557.9252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 8217.3483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 8295.0923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 8250.6927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 8037.1278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 7045.7175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 7882.0402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 4213.9108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 9383.5767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 9637.8148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 10563.3437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 8051.1982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 8082.2240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 7664.7093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 7604.5064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 8896.8461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 8697.0462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 7179.9056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 8702.2417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 7797.2765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 8650.2756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 9783.3594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 8463.4035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 9950.2088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 8810.2982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 9115.2447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 21.8069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 7858.0172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 8370.7339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 10770.9114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 8844.4600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 8175.9135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 7452.0990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 8067.3362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 7893.7387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 8599.1759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 10635.4983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 8714.2509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 8432.4186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 8071.5525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 8865.8447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 8287.0189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 1.4314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 6534.6184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 7573.4099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 8506.6118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 8533.9917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 8717.2078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 7873.9700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 67.6775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 8237.3761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 8406.7325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 7821.0263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 97.9601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 8196.3552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 10609.2945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 7404.6526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 7572.9037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 45974.4560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 7598.8244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 8201.7308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 9319.6381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 7233.1671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 8530.0627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 9248.1260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 8096.7375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 7990.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 6843.0448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 8206.2815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 1.9427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 6075.9550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 7414.0488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 9198.0861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 9757.0937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 7483.8490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 7856.4251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 68.8513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 10165.7009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 9733.4081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 8058.7422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 9217.3532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 7844.6683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 7759.7607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 8128.5110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 7965.2429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 10511.5191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 7645.0394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 8108.1703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 8192.0864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 8254.6807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 9334.3871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 8658.8086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 7757.7292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 7311.3192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 10564.2616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 1.5045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 5.0793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 7273.7074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 8112.7904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 7539.6751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 8016.7228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 20773.3331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 9407.5695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 9990.9645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 112.8175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 8991.7736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 10718.6367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 8623.7107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 8990.3983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 7917.9647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 7682.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 8417.9780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 7918.0423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 8004.0645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 7870.5483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 9519.5665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 9301.6851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 8296.2459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 7876.7171 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 7948.4068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 9178.1354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 7990.0361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 8976.8281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 8377.6616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 8267.7427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 8568.2945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 7137.6720 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 6945.9849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 7135.0700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 9337.9249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 10358.4510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 7895.5600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 8224.7494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 9015.2389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 9367.8610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 8019.3622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 9456.0332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 7999.6361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 8182.4925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 8832.5782 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 9007.1956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 7812.4207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 9716.0274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 8071.4788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 7855.5350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 8655.8341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 8075.2866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 8400.9353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 1.8630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 6747.1963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 8272.1076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 7669.6114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 8334.5026 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 8018.3993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 7691.1840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 8263.9477 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 8295.8063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 2.0466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 6140.7604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 10314.3043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 8547.7375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 9525.7583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 8275.1762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 7446.2943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 67.4565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 7476.3191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 8136.5765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 7241.0940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 107.7275 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 9860.7836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 8643.1027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 7987.9542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 7711.1143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 7633.3573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 7430.8911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 188.8636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 9766.2553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 8228.8541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 9656.4102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 10475.3569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 8142.3078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 8871.9696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 7967.0130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 8059.1726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 8180.2318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 9051.9923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 9989.9320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 8356.9886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 9494.0550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 7968.4361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 10633.9004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 8440.1239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 8339.7219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 9626.6336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 8268.3777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 7984.4638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 7956.0069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 7529.5703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 8635.2322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 6219.2029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 8983.1811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 2.9130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 6049.1045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 109.8386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 8049.3918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 8079.8568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 7484.6951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 7954.8163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 9580.0045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 9556.2277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 8163.8385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 4.2626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 9409.6333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 7977.5925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 8134.3725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 8394.7221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 7412.1269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 9596.3988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 8391.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 8159.5901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 8990.0530 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 8835.1603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 9184.1333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 7670.8411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 7834.7224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 11473.9153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 8314.5991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 10674.1663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 10131.0185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 10100.5883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 8187.7391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 9142.9642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 8147.7805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 8073.8307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 9292.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 10509.2312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 12.9789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 7768.6307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 8302.3695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 10176.2930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 10264.9280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 10742.8013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 8835.9865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 8205.7481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 8853.9277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 8663.7740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 9107.1085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 8199.6298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 7957.7327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 9691.9172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 8255.8080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 3.4347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 2.8938 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 8650.6267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 2.0105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 6083.2297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 8452.3577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 8932.1444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 7355.9383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 3.2263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 9035.1742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 8034.8776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 7611.1003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 7694.6359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 10506.2321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 8512.3329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 8448.1721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 23989.3687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 7862.0562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 7652.4631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 8627.9714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 9186.7573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 7299.3174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 8103.5758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 8126.0631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 9841.4887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 6.0150 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 9910.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 7761.7482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 7697.6590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 8634.3814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 8520.9613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 9957.6277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 8477.3936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 8158.2601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 8052.4064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 7941.9492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 8929.1507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 9448.4748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 8727.1010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 8017.9021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 7610.5280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 7527.7710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 9687.6095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 10519.5280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 10604.8646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 9997.5710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 10466.4439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 9969.5879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 7258.1045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 9583.1323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 8877.9422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 8410.3102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 10393.0135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 8484.0788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 8451.7925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 100.6408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 3.0081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 6906.7271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 9080.4495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 8163.2778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 9285.2810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 7940.8566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 7535.9812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 7608.1686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 9496.1047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 7270.1666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 10053.7344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 8940.6821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 9262.7451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 8559.3793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 10265.9225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 6397.4151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 8404.3090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 9680.2450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 8497.2687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 8108.0203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 8059.7627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 9649.0899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 8382.5562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 8893.3266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 8316.8163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 11044.0535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 7912.5220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 9248.3292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 9944.8050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 7963.8154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 7942.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 8588.6165 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 7080.8081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 8110.0600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 8558.0142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 7863.8999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 8220.1264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 10313.8116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 8607.1327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 8476.8223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 8029.1337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 8513.0545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 3.4039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 4.5911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 9560.7466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 7.7093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 9528.0502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 8482.7817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 8984.5912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 8209.7971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 7691.9367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 29.9374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 9138.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 1.9783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 6395.8050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 7510.7340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 8880.6567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 7180.2916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 8319.9024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 6754.2131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 7982.8953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 8056.8851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 110.8461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 9630.3071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 7444.5710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 7677.7100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 7154.4923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 8164.0576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 8811.0413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 9804.2679 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 8225.4395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 9322.0539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 8245.2647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 11004.6019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 9531.7578 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 8077.5573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 8757.9042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 8969.0228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 8326.1859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 9244.8048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 7976.7608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 17.9807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 59.6036 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 8856.4067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 9260.5455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 8439.6437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 8087.1464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 7588.7578 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 8507.0450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 8746.8868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 6140.8014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 3.4516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 7028.8567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 8229.3587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 23.8718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 7808.0313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 7949.8602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 7500.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 8644.0206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 8713.4869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 8440.0489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 8689.0173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 33.3641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 8906.5457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 9475.0594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 7408.0552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 2.1943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 4.5238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 7317.8025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 2.0617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 8697.0249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 7709.0480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 7458.1711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 174.9668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 8069.4753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 7951.7750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 7076.5683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 7358.3533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 9622.3732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 7719.2899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 7220.8400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 7234.0823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 7672.6100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 8306.4072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 214.7546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 8155.8718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 5423.0177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 30734.0658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 8855.8974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 9244.0087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 7501.0013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 8648.2905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 7490.5469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 8130.7838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 9881.2321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 8167.8716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 8544.2675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 9639.2492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 8366.8386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 31.0459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 9474.2128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 9811.7282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 10540.3960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 8717.4221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 8041.8474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 9071.7113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 8139.9753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 7950.3276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 8330.7584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 7881.6055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 8249.6063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 7397.2294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 8704.4777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 8651.4968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 4.2646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 9344.3929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 10530.4586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 10512.9242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 8456.4620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 2.8966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 5731.9588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 6530.6522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 7667.4321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 10401.3820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 95.6919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 8151.5587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 22.8515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 7736.6444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 9966.2952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 7981.2612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 10158.6172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 26.1073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 7699.8794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 8467.3340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 8823.2036 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 9428.1311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 7694.6865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 8125.7546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 8161.6450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 9618.8018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 7639.0142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 8381.6372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 44.3318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 10867.4099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 8008.1238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 3.3829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 7831.2969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 8136.1035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 8377.7198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 7490.6533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 9789.1523 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 9529.3649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 7541.9384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 8414.2815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 7719.7480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 7779.3115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 4.3039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 9238.7906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 8307.0323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 7737.4711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 8088.8592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 8249.3440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 7899.3653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 8707.0763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 8632.9528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 10032.6000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 10554.1768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 13.8424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 8696.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 10542.6256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 7978.4244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 10014.1351 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 2.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 6346.9727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 89.4809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 7745.9908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 7233.0059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 7247.0045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 9338.0284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 9983.0686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 8101.0292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 7701.5332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 7481.8147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 10886.2233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 8090.6741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 9121.7458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 7951.4059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 9001.0041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 9641.7287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 9809.4548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 8029.3144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 8024.1264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 8850.3591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 8007.3429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 7629.2875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 7762.0516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 7674.6570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 7379.2565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 7988.4768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 7903.6333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 9002.3208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 7425.0915 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 7981.2513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 10167.7460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 8590.3954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 10018.9855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 8518.2951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 7992.3299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 9946.0318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 7848.6861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 7605.3532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 9145.6605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 8308.6068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 8675.9760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 7262.5511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 7880.6729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 7253.9664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 7438.7910 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 8347.8308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 9032.3378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 7680.8738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 7814.4774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 4.0802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 57.7746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 7940.2329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 2.0017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 6476.5266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 7855.3302 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 7941.2942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 7594.3207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 106.9426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 7901.3310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 8331.5457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 8580.4509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 9851.0459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 8924.6894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 8119.8415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 8620.1988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 8306.7300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 10493.1967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 8438.4362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 7983.0683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 8602.5914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 8969.5340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 88.9448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 22.0489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 7775.9775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 7722.5404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 9745.0383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 10451.6764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 7.0579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 20095.7002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 7391.0544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 6890.5251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 7980.0289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 7749.3725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 8629.3056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 10546.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 9028.2281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 8304.7903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 8410.6857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 7519.4502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 9278.2831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 7800.5350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 8330.0433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 7882.3126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 9180.5865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 7882.7268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 9727.6072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 8177.1887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 3.8763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 7814.2747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 7726.6427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 8841.8957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 8479.3627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 8509.5358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 231.9192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 8327.7911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 2.0742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 5892.6781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 8415.6894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 7427.3748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 7476.8490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 8305.4131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 9342.3653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 8558.6070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 8958.2587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 7584.6020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 9054.9107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 9698.7356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 7410.6299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 6850.3274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 9955.5362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 8257.0768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 9369.9008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 7640.2246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 7798.6421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 9476.6287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 9219.2860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 8173.1101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 9198.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 119.8004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 8055.9531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 8528.7680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 9418.1267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 8200.5295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 8447.0895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 8174.0073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 10318.4129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 10205.7850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 8572.7197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 8487.4896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 8422.8547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 9336.8935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 9671.6510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 9356.7072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 7780.5228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 7970.8769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 8328.4377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 9546.6231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 8252.9395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 7810.1950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 9003.8378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 8731.5049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 7928.0827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 8145.4962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 85.2634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 8797.3752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 8473.3677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 7611.6695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 7654.2227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 2.8061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 7927.8099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 10732.0726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 7724.1856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 8234.7899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 8174.7549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 9583.2880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 7834.1426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 7569.3338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 7405.6182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 8416.1467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 9457.2985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 8528.0923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 7959.3418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 36.3419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 7524.8162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 8573.2431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 8522.3094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 7752.6437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 7386.2695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 3615.6979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 1.9350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 7363.6490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 5329.9776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 6655.4793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 7927.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 1.9688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 6848.2680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 10356.1196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 9273.8603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 9998.8808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 7222.3249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 7961.4713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 7860.5778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 8045.9706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 9740.2429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 7732.5858 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 8285.7827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 8208.5649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 8459.5812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 268.7603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 7925.6047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 2.0631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 7123.5302 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 8295.2375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 9530.8900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 8499.5370 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 7884.5500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 9565.6428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 8478.3607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 8162.5846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 10019.6332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 9085.6383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 1.8016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 5934.4042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 6998.3629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 7113.4491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 8336.8969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 93.2368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 8055.0708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 8087.8282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 9020.8629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 9101.6968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 8189.9875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 8207.9249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 8413.3194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 3.6075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 8309.4283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 479.9700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 8418.4478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 428.4904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 8504.9405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 9509.6912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 89.4308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 8297.5034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 7813.8904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 7145.3999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 114.5904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 9072.5803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 7763.0286 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 9378.3598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 7239.4202 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 8747.9732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 7611.0915 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 8447.0509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 8239.0933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 8712.4614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 8334.8160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 8087.4234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 8909.5259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 7759.0343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 8587.5376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 8993.3462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 10381.5692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 9758.4134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 8436.3581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 8187.8954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 8606.8345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 10130.8027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 7689.8875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 10443.5492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 8211.4969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 8977.7525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 8241.9413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 7929.7404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 7986.3810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 3.2402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 7174.3286 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 7827.6454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 7594.5015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 9113.3926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 8057.3680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 8962.5307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 9157.0951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 9555.0524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 9928.9392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 6.3652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 8062.4519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 7680.6714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 8240.1466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 9218.2449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 7947.5365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 8139.1943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 7414.2605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 7597.6758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 124.6812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 7027.3456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 8579.2763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 3.6416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 8072.3196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 7501.0810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 8172.3420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 10624.0909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 6.4442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 7640.0262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 8028.6932 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 7613.1284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 10232.6975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 9463.4954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 7460.7883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 8013.4563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 4.3589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 9892.8446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 8270.5720 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 9377.5114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 7420.4190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 6693.8409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 8532.3003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 7896.9261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 88.1559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 8084.7193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 9297.4733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 7734.1865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 7779.2619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 7992.1790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 64.4870 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 8573.6753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 8681.6860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 8084.3739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 1.8165 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 6452.6552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 7761.4102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 8638.3461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 165.26s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.18 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 2.0000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 6840.0839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 8236.4507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 8319.4237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 11017.8987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 8802.2534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 8284.4855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 8232.4888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 63.8792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 8815.7201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 9720.9155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 64.8768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 8753.8772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 9188.3641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 10550.6301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 9106.7191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 9124.0567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 8761.9451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 9311.6867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 8519.1423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 9606.3213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 8774.3342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 8663.1917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 8385.4319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 8217.9126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 64.6443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 8780.8556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 10606.7696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 8653.2261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 61.7457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 7752.5838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 7015.2978 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 2.5280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 7150.5768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 7326.4838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 9785.3672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 7324.1925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 63.8835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 11.2242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 7418.2871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 96.9214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 8047.7131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 11198.0705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 9181.2835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 61.0789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 8605.4199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 9534.6115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 6647.9315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 6485.0930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 8536.4218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 9069.1250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 8735.6516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 8692.1122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 8095.1400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 25.2547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 7760.9367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 9981.0612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 8464.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 64.6293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 8860.4092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 11147.6856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 8610.1160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 8786.3373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 11365.2550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 8712.6353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 8137.1689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 8959.7985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 64.3233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 11357.7268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 8912.3524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 8785.3753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 8283.8676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 7845.4722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 10542.1731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 8637.0064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 9202.8418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 8609.3644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 9045.9016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 64.9496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 9160.6534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 12630.1941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 9574.9425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 1948.9147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 8781.1197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 8098.7649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 11417.2739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 9994.7791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 8951.6565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 9326.2059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 8846.0007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 72.3429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 9461.2330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 11338.1551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 8660.5062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 8043.1934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 2.5642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 7130.8090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 182.5786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 8435.6497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 9140.9835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 9533.4199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 8987.9497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 8466.9016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 8336.5344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 8466.1773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 9432.3064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 10268.9353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 8439.8540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 11038.4753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 25934.0408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 8265.6005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 8890.2410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 8418.2825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 9549.4038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 9174.0039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 9111.9035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 9695.6550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 63.9953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 8158.9455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 96.6225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 8578.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 101.1659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 8614.9781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 9012.2172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 9569.3041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 9585.8086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 9319.3692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 7747.3284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 8989.0804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 30.1490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 8325.8550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 10129.9497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 7641.4779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 8653.3812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 62.8969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 9090.5209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 9404.4833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 64.0563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 9857.8059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 9368.3854 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 8748.3579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 9785.1055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 8446.4763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 8563.6864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 87.5278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 9512.9058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 8235.9828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 8179.3823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 11592.7197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 8715.2025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 12276.3474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 8461.5046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 55.7883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 66.6650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 88.6188 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 10022.6700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 9363.1653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 9015.5094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 2.8518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 7755.8154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 93.8986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 7906.5402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 8602.5330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 8568.2814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 9403.4520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 6.1604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 8351.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 12834.8955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 9105.6637 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 8850.0661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 8786.4791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 8345.0718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 11493.1666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 8757.2457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 8476.1866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 9300.1358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 11692.0162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 9444.4677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 9058.1767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 8585.8890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 12084.5342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 9021.3479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 67.9462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 91.1098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 9230.1447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 9266.6757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 92.9450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 8647.7167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 11330.6178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 8719.5183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 9755.6146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 9024.3119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 91.2800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 8393.7499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 61.6675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 9163.5881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 9019.9932 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 3.1981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 8321.6691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 8600.1461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 8548.2620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 7810.8317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 8931.3909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 9724.7208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 8933.3685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 88.6292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 9408.0671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 64.7232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 9715.6169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 8362.2787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 62.8933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 9091.4381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 9889.0147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 8891.9763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 90.2592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 6494.9856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 64.4899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 2.4860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 9405.2610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 64.9227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 8167.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 9276.9130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 8880.9587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 2.5752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 7580.4798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 8347.0029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 8584.1013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 10292.0884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 88.0737 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 8787.3643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 8139.9747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 9223.5790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 10707.4626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 8954.3890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 11938.5027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 9112.5004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 65.4634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 9340.2574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 8475.8341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 64.2805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 8619.9088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 8519.7596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 88.5886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 8231.1444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 8669.8216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 7962.4726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 11540.1775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 92.4125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 9337.6307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 68.1872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 8607.4953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 8889.2230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 8605.3981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 8499.3680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 8095.8035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 8415.5500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 29344.5369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 8464.0169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 75.3712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 8685.0744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 64.1352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 8863.8320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 8690.8155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 11672.7200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 9101.1317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 137.2073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 8462.2903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 8387.2429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 11137.2585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 8940.1949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 8180.1291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 8527.5594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 94.9333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 11993.7144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 9206.9751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 9536.3187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 10617.2694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 94.4008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 9495.3107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 7966.4262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 92.8159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 8957.0653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 5770.5008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 62.8463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 9318.4485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 8615.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 8743.1243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 8337.1530 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 10009.8739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 8466.8810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 9128.8783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 7843.4780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 9178.1203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 11029.2317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 8580.7474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 10.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 8914.1670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 2.9795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 8202.6139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 85.1529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 64.3819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 11752.5198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 9482.6087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 8578.6010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 9172.7423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 9719.1668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 3.2071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 8329.7674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 2.5773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 8211.5114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 8819.1061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 11327.8957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 9096.0209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 8811.0919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 8712.1507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 9466.7045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 3.6028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 8106.7877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 64.4382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 8766.4170 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 9094.8373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 8553.1085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 8692.7293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 8932.4640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 9941.6218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 12143.4972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 8591.2347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 86.8493 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 8253.4217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 8611.9545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 9137.3991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 8360.1208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 8333.3783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 8604.2917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 86.4291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 8990.2075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 9786.9689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 9084.0243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 8568.2483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 136.6607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 8793.6201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 8324.4270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 8762.0770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 8780.1723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 4212.2755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 83.1356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 1.4181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 3.0416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 7844.5195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 2.6868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 57.2484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 63.1007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 10.0760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 62.6550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 10.0897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 12137.8559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 8164.0779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 104.5880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 8887.0695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 8280.8501 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 9042.6869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 8949.0994 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 8348.3695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 9567.9195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 9348.6225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 88.5415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 8459.4102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 8355.0079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 10805.7350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 8020.1940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 9070.2329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 8426.3011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 3.1393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 7258.5166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 9751.3822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 9785.8907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 11226.9823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 90.4960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 8625.0681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 8648.6634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 43.3569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 9939.4143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 8860.9711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 84.7518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 8688.3316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 9838.7867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 61.9433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 7950.0248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 7962.9143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 9239.7175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 8789.0347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 8713.5970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 8137.9753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 65.9109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 8392.9973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 8451.9751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 9248.7203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 92.4853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 8310.9778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 10972.1347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 8720.9027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 7892.1058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 65.2457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 19485.9010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 7179.7970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 9823.3549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 10503.0247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 9171.5896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 8310.7529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 9216.1689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 68.7800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 9270.2830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 2.7397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 7933.6329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 8945.8643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 87.2924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 11538.8240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 8285.4301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 8672.9699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 8763.8296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 9772.0907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 8774.7454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 62.8162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 8784.6379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 12085.8236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 63.7608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 8334.0597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 8277.5683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 8414.7708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 8025.2800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 9202.5994 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 8258.3514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 8723.0486 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 84.9662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 9227.5955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 65.0142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 8864.2974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 8583.5045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 8745.8405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 8561.6988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 8722.4593 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 2.9662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 7832.2605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 11166.1665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 8370.5935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 8390.0674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 91.4995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 9085.3035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 7854.9919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 2.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 8126.5985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 8023.8663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 6726.1673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 8305.2989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 8251.4168 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 91.2107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 8582.8005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 11379.7867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 8718.3892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 85.1549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 8856.4627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 3.2298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 7749.5123 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 9567.4872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 2.4622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 56.3866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 8501.9322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 8858.5068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 83.6398 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 9162.3539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 2.5754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 7662.3060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 8017.0990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 8270.2352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 8906.8812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 9389.6460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 8502.3104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 8284.9074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 8371.4331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 8843.0470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 11749.5769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 8536.6952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 8819.4080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 8360.8293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 11090.7676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 11895.2681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 8493.1227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 8987.7817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 2.6658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 7129.2425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 201.1386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 8715.3642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 8374.6009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 8877.5508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 10550.3474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 8964.2998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 8727.0680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 8691.0063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 7981.8168 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 8615.7127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 88.0598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 62.5339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 8776.8417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 9030.0754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 8046.7426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 15.7811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 11455.3481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 65.2821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 8961.8565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 9006.3833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 8930.4228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 8639.9400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 9073.1518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 8807.7081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 11310.4581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 89.8903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 8284.6853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 10672.6746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 8985.9583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 63.7559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 9586.1429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 8879.8751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 3.0916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 8730.6305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 11330.7503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 8913.8716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 66.5479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 8808.1597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 8522.5588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 8801.0424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 9614.6062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 8892.5235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 11270.0426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 9227.1399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 7877.6241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 8448.1615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 8876.6894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 8818.4248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 1.6365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 7324.0125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 2.7024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 7325.0237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 62.6584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 7817.6525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 8414.6610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 92.4832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 8173.2130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 60.2252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 8646.5665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 31.4731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 9199.8725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 8909.4664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 8174.2980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 0.3807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 7858.9533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 8140.7879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 8513.3668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 8178.6357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 8799.8902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 9211.8446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 8603.0595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 3.4272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 7779.1747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 8519.8541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 10017.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 8359.2876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 8441.1472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 8089.4214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 8308.7244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 60.8367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 8642.5380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 7741.3463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 8209.4894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 8390.6635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 8605.4174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 9011.1518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 9047.2181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 9034.2865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 125.5382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 8464.1235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 65.3009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 8842.0242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 11520.2598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 8855.4234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 8647.9621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 10883.9541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 9342.3837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 65.3014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 60.3647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 8339.1547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 9167.2601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 9557.1832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 4.7163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 8014.9390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 27.6116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 10692.8137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 8486.1678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 8462.9005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 9514.3988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 2.9280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 7667.5121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 8802.8468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 9766.0235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 9293.5462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 8502.5789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 8489.4782 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 83.1524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 8233.3608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 9395.4234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 8413.2044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 9308.9466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 8437.9119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 9119.2068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 87.8956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 8260.0206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 4.6425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 8120.1529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 8359.4331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 8427.4361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 8677.8960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 2.2011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 6847.1028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 3.1729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 7944.9014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 7750.9654 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 88.2499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 62.3454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 92.4525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 62.7045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 8222.1362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 68.2877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 8378.0198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 9939.5857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 7732.2202 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 8791.8743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 9039.6777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 8818.8938 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 67.7902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 11495.3835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 9197.7203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 9269.6328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 10050.6845 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 8375.6306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 4.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 9034.8681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 70.2382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 92.6399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 10736.3809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 63.9881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 10082.7009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 69.2320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 8859.7034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 11944.7873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 8854.6479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 10807.9695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 10563.0524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 8282.4887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 63.1239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 63.5075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 8886.6395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 8733.1002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 11181.0289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 9070.2471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 8801.8395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 8532.8645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 11576.4542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 8331.0786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 8353.1633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 8227.7912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 8965.9585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 9078.7062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 10967.7155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 8449.2080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 61.5287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 8455.3464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 8466.7364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 8977.5761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 9072.2442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 8864.7859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 8474.5752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 131.9697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 8540.1633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 8171.7006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 8095.0986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 63.1695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 9105.1795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 8205.0463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 9707.5169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 10820.4056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 8840.6670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 8560.5933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 8633.6158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 270.5896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 8555.9820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 63.1631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 10437.1085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 8671.5441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 9885.2583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 8450.1282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 8574.6879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 9570.0425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 8571.6219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 63.4346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 26127.1110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 87.5194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 9152.2019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 8486.6465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 9083.5391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 9175.8847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 8987.9968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 8011.5568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 9376.9705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 8793.7911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 9014.3989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 10335.8193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 10031.5616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 11411.3936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 6271.0488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 9986.7658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 8057.8887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 8731.0992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 8915.7191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 9198.3812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 9093.8864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 8997.6334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 9015.3117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 85.5304 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 11999.8609 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 9407.2672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 8618.5590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 66.8771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 124.5348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 8390.8089 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 9183.2544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 82.4943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 8503.2050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 8639.8073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 2.7745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 7868.8732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 10762.2261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 16.1031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 8393.0180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 8394.3029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 12316.1739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 8565.2590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 63.2867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 11362.0907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 64.0777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 8598.9538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 66.7210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 9263.8499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 10719.3134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 96.3696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 8540.8682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 8712.3010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 61.7348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 8350.2795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 10470.2212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 62.8453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 8595.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 8021.6615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 88.6018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 8634.7042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 9840.5469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 9698.7765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 9429.5933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 8462.4869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 8816.7797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 6930.5790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 8889.0271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 9269.4703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 58.9561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 11754.0944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 88.4554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 91.5188 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 9095.7900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 9833.3110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 8442.0548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 8902.3643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 63.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 6298.6329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 7091.2884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 67.6674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 14.1701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 6540.2803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 67.0005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 88.8961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 9.4565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 7731.1295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 8869.9881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 9092.2728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 65.3243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 8775.2564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 4.2087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 11078.0083 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 9341.0064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 8719.4835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 8643.7911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 63.5380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 8304.4189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 8689.5028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 64.9840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 8783.5346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 10171.8142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 8463.8313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 10876.5304 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 8561.5587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 8111.9474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 2.6293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 8047.3778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 8583.0308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 9011.6146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 87.3046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 67.0929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 8480.9225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 10189.3538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 11616.8563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 9009.2200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 9195.5835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 9404.0669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 8866.7914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 8258.1660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 11834.9484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 6610.0480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 11078.1238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 8648.8719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 9326.7264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 8311.1733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 67.9798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 8947.5519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 10688.6796 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 6446.7532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 7211.2333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 8052.4043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 10708.1822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 8831.1129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 8557.9249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 62.7460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 8580.1282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 63.6422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 7968.2007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 10471.5031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 70.0213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 9483.4846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 8544.6847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 11804.4849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 8335.5424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 63.8294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 22937.9240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 9197.6205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 59.6433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 65.7347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 9046.3225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 8781.0377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 61.7220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 8013.6784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 8000.2136 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 8121.3131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 12091.5566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 8522.3200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 11432.9982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 9262.0959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 9178.2957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 11679.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 9197.2241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 9854.9392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 8817.5510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 9284.4038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 3.6078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 88.9336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 12714.9759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 9221.6272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 8483.7697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 8796.4806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 10054.6587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 8831.1612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 9508.6565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 3.2015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 7722.5179 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 8572.2653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 59.3568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 9631.6471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 8566.2821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 8630.8014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 8105.5615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 9232.1971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 8166.2987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 3.2037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 7471.7402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 9224.2051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 85.5509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 8081.6941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 66.1577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 8219.3158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 8835.7944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 10417.2514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 185.81s (includes QPU queue + RTT) -[H2O] Time/iter: 0.21 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=2 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 3.4045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 3968.3015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 4681.5314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 5015.4552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 4375.9641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 5091.8002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 4902.6220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 4900.6721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 5061.5164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 5025.1763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=2 T_total=1.1613 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=2, molecule=LiH) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.393333 | Delta: inf | M: 0.2674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.558221 | Delta: 1.65e-01 | M: 4298.9502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.683524 | Delta: 1.25e-01 | M: 6031.3369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.969214 | Delta: 2.86e-01 | M: 127.3228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.124101 | Delta: 1.55e-01 | M: 4741.4659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.536693 | Delta: 4.13e-01 | M: 4685.9125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -2.211627 | Delta: 6.75e-01 | M: 4839.3509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -2.321251 | Delta: 1.10e-01 | M: 4791.8350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -2.744259 | Delta: 4.23e-01 | M: 4864.2403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -3.048238 | Delta: 3.04e-01 | M: 4795.4441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=2 mol=LiH terms=631 terms/rank=316 T_total=1.7573 T/iter=0.1757 final_E=-3.048238 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 2 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 16.05 0.0802 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 79.34 0.1033 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 165.26 0.1844 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 185.81 0.2074 -[Results] Saved to results/simulator/simulator_20260415_153142.json -[ 464.17s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[ 464.17s] Log closed diff --git a/results_hpc/slurm/vqe-gpu_2555.log b/results_hpc/slurm/vqe-gpu_2555.log deleted file mode 100644 index c9831b6..0000000 --- a/results_hpc/slurm/vqe-gpu_2555.log +++ /dev/null @@ -1,3517 +0,0 @@ -=== Slurm VQE GPU job === -Host: haskell -Job ID: 2555 -GPU: 0 -MPI ranks: 2 -Thu Apr 16 23:24:02 2026 -+-----------------------------------------------------------------------------------------+ -| NVIDIA-SMI 580.126.09 Driver Version: 580.126.09 CUDA Version: 13.0 | -+-----------------------------------------+------------------------+----------------------+ -| GPU Name Persistence-M | Bus-Id Disp.A | Volatile Uncorr. ECC | -| Fan Temp Perf Pwr:Usage/Cap | Memory-Usage | GPU-Util Compute M. | -| | | MIG M. | -|=========================================+========================+======================| -| 0 NVIDIA RTX 6000 Ada Gene... On | 00000000:11:00.0 On | Off | -| 30% 26C P8 25W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ -| 1 NVIDIA RTX 6000 Ada Gene... On | 00000000:61:00.0 Off | Off | -| 30% 23C P8 24W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ - -+-----------------------------------------------------------------------------------------+ -| Processes: | -| GPU GI CI PID Type Process name GPU Memory | -| ID ID Usage | -|=========================================================================================| -| No running processes found | -+-----------------------------------------------------------------------------------------+ -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) available -[Stack] Initialized 2 MPI rank(s), GPU=enabled, SV_backend=GPU (cuStateVec), backend='simulator' - - ---- RUNNING CHEMISTRY TASK H2 --- -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036757 | Delta: inf | M: 924.8328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.034346 | Delta: 2.41e-03 | M: 3501.2967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.041786 | Delta: 7.44e-03 | M: 3154.6539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.022947 | Delta: 1.88e-02 | M: 2636.8613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.039845 | Delta: 1.69e-02 | M: 3450.3628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.032940 | Delta: 6.91e-03 | M: 3005.3811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.038593 | Delta: 5.65e-03 | M: 2550.7120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.034324 | Delta: 4.27e-03 | M: 2601.7496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.038720 | Delta: 4.40e-03 | M: 3395.3525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.038716 | Delta: 4.22e-06 | M: 3367.3749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.041388 | Delta: 2.67e-03 | M: 3705.4733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.039931 | Delta: 1.46e-03 | M: 2871.3147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.046354 | Delta: 6.42e-03 | M: 2555.2224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 26.6034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 3812.0085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 2998.2702 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 3913.0837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 3781.7647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 3722.3843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 2946.8077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 3689.5134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 3653.5431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 0.9210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 3415.6519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 166.6617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 3797.5729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 3765.6855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 3172.3238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 367.4325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 3818.3528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 143.1771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 301.3949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 122.9690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 104.7172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 3659.1141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 188.1143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 3744.5298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 3731.8122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 3686.9392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 3804.7515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 3698.5214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 3707.3040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 3555.8118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 3785.3765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 403.1576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 3733.7591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 340.8949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 3619.6672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 2656.8399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 26.6545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 3722.2382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 2043.9515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 3690.6483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 3751.4471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 3837.4621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 3810.1770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 3712.0267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 348.5742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 491.9166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 3725.0115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 3665.7355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 501.7139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 3565.6882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 315.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 3620.1999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 290.9441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 3664.6959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 165.7966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 3656.2440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 468.7925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 324.2131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 2946.3626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 366.9227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 520.8424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 3685.1509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 327.8251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 298.1871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 3761.4387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 3799.9222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 178.1043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 176.1641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 88.4267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 112.4348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 102.6747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 95.8766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 3738.0194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 3709.6880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 3469.9821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 39.8066 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 3746.6238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 3697.2090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 3721.6374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 3789.2017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 3725.7113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 3732.5339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 3716.9618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 3709.6060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 3691.0580 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 3484.2224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 3509.1349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 3538.2546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 3548.1416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 3613.3402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 3539.6240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 239.2838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 3639.1555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 3550.5540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 3517.5635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 3655.6901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 3593.0774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 3667.6687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 514.7680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 3635.9331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 3558.9515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 3558.8683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 3534.5896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 3498.1243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 373.1281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 3630.0591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 3576.3659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 3703.8620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 3448.3684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 3695.4254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 4017.8311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 4853.9688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 2174.6331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 1790.3172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 3581.9794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 3635.7675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 3646.7574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 3677.5208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 3764.7737 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 3729.1119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 3790.0682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 3706.2494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 3622.2395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 3646.5646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 3720.2021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 3772.3106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 3712.2311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 3713.9565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 3609.3834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 3681.7278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 3532.3499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 3633.9786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 3726.6494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 3746.9852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 3670.6818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 3648.7581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 3795.1027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 3665.5904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 262.5161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 3654.6342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 3641.3656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 3592.0471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 2818.1645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 3302.0511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 3326.2650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 3545.2373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 0.6533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 3441.7706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 3446.3713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 2792.1403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 3750.4223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 3762.1276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 3452.4700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 3610.2993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 3738.0394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 76.0742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 3544.1738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 3622.8573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 3637.4139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 3631.7734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 3671.6920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 3683.5647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 3743.8561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 3682.9819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 3703.7869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 152.2888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 3686.9459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 3754.8986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 3732.8277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 3822.9052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 3747.5758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 3470.1980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 3666.6050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 3672.0586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 130.5498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 3639.2285 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 234.7827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 3603.5090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 3749.6344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 322.4409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 421.9124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 3760.2539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 3657.4455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 3627.0765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 3468.8584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 3617.0309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 3651.4238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 16.60s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 4741.9413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 147.4227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 131.2934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 4698.5844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 126.2357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 117.6463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 4924.8389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 4802.5804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 119.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 4691.4041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 4872.1088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 121.5754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 123.2507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 127.0173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 100.6535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 114.9071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 118.9670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 70.9424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 106.6828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 88.2587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 118.2005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 77.0513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 111.9463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 4898.1298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 4833.0724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 21.9182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 4788.6355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 4880.8220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 4660.1162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 4839.0572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 2899.0703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 4650.1175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 4491.8759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 4876.6061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 4693.9892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 4576.4135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 4716.6904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 4592.1771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 4346.5334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 193.5428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 4800.1837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 4726.2139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 4938.5003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 4471.8804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 4097.2422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 4805.2541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 4779.9631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 4772.8539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 4759.6563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 4679.0269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 4687.0214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 4667.9253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 4774.1676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 4917.8356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 4613.3641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 4761.0209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 4081.4655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 4785.1060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 4782.0001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 4742.0995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 4746.7791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 4842.1823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 4712.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 4756.1465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 134.9764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 123.6435 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 157.5282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 4932.2980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 105.3769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 4950.5411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 4471.8481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 4893.1746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 4918.7526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 4999.2308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 4329.4232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 4609.8379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 4688.7689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 1.0032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 4290.3761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 4244.0157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 144.6324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 4627.3725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 4809.3403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 4613.9952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 4765.9780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 4595.6164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 4826.9641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 4284.5541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 130.1662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 4279.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 96.6079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 127.9889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 5498.3624 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 28.4664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 140.3455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 91.9254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 5180.2154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 93.7237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 128.1669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 126.4249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 134.9184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 42.1602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 110.6733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 6224.4429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 5455.3614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 96.1031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 5895.8975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 13.7375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 59.1193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 5251.7618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 5885.4786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 5581.1995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 4907.3213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 112.6862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 44.7952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 5401.9405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 6126.3398 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 4945.1388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 12.8078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 5065.7466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 13.3267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 4.3092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 5.5120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 99.5743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 5673.0054 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 5318.4014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 4860.6359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 5104.6163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 131.0449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 4804.7734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 6774.7628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 115.0719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 31.6821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 28.6537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 4992.3767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 16.0579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 65.6431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 51.0468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 46.6970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 37.9152 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 88.2584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 137.3738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 5007.9891 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 4941.7046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 75.8652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 78.0237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 59.6943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 64.0008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 125.5533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 132.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 5354.3095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 4502.9933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 4514.0612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 4442.8117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 4413.5197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 4511.9349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 2821.9055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 4329.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 4276.8528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 4307.3769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 4440.3642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 4521.1632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 4423.6150 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 140.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 173.7947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 132.1024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 149.2516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 141.2831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 103.1025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 4977.6258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 127.6208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 4746.1579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 142.6178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 145.0096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 140.5805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 5077.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 4594.6068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 116.9429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 129.2561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 148.2305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 133.3396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 5124.2301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 5160.5748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 5247.2880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 162.9927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 127.3673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 132.7745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 85.0129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 5280.0529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 94.5081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 160.5718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 126.7344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 5021.1890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 78.7058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 113.1736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 126.1191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 137.5099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 78.8150 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 49.8749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 81.1900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 86.0082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 70.0222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 76.2727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 106.1725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 201.0405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 86.0401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 96.0284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 78.8238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 128.8123 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 73.1492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 69.8034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 82.4128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 150.2155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 80.6439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 81.2876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 90.7301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 0.9824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 3984.2064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 79.9892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 82.3004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 72.9048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 4796.0144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 99.4489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 117.0096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 118.3394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 121.3058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 127.3813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 4846.8029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 139.9693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 112.7450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 128.0583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 66.5268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 67.4041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 65.4909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 66.4323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 78.2778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 62.6553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 5158.0632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 36.7982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 73.2537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 62.3771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 67.0699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 67.3057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 73.0824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 88.1365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 75.8756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 73.2562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 62.9099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 4908.8230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 144.8564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 4990.9449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 187.0345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 4578.1139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 4697.0365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 4784.3772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 164.6778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 4809.6831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 5052.4556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 4941.4774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 4574.1967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 5024.5943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 97.0726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 156.6296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 116.2176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 140.8330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 110.7241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 72.6977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 100.0235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 97.5094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 106.5314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 4974.0944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 74.2358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 89.0647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 136.6862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 4698.2624 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 95.5736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 132.7947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 124.0161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 154.6679 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 152.9914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 131.9831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 133.3154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 106.2387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 102.0745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 78.6332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 61.1570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 53.9955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 66.1795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 75.5244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 92.9903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 58.4363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 3893.7143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 112.3839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 84.6868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 102.8378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 127.1336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 93.1244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 105.7379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 77.9851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 69.9447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 131.0439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 93.3897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 108.8733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 77.2742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 102.8359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 139.9827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 127.1484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 117.9502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 113.4647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 72.4837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 96.7876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 4246.8231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 136.4703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 149.9931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 109.9653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 191.4048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 191.2480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 128.9572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 4574.3811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 4654.7811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 111.0982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 162.0232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 4807.0470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 4675.2109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 4812.5401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 131.0106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 4575.4124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 4667.0265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 95.5084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 157.4620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 162.1082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 119.0722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 4814.2599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 4910.7783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 4628.9567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 182.1068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 4620.3683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 4573.2088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 4821.7263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 4476.3662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 187.0848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 4682.0575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 4630.9062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 4705.4937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 133.2607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 164.6021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 154.4129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 4588.4076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 159.6010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 139.9588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 189.9210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 4968.4409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 178.3861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 4794.7128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 151.7371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 142.7104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 1.0862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 4105.7274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 4415.2493 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 4593.9723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 4709.3069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 4584.5469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 4680.1705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 4520.2289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 145.6000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 87.6812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 135.9985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 110.4007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 117.9473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 90.8325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 100.3465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 101.1592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 91.2068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 98.3445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 155.4697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 137.1233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 147.6212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 72.8974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 155.4818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 4758.9277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 4879.7102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 206.4822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 143.1635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 5903.2671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 70.8551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 77.1359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 130.2701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 156.6227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 4946.1653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 159.7704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 122.5676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 126.5916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 123.6930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 126.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 144.6026 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 104.3745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 132.9689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 5010.5585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 128.2379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 110.1961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 119.3216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 111.5924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 161.8542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 4800.9871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 143.4018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 118.0889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 127.1250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 4953.2455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 112.7826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 147.3695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 4866.6427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 4617.1669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 4746.6444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 4856.2042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 4623.8563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 4829.7529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 4823.0393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 4677.1292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 4733.1492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 4768.2571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 4703.4362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 4697.6668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 4792.9349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 4331.7678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 99.9783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 94.8874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 4443.2929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 4752.4183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 4827.9473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 142.3766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 4852.1454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 4684.5414 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 152.0229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 4675.1361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 4870.2271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 4659.4276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 4707.9278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 5022.4469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 4646.7775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 4758.4170 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 4900.7395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 4844.4822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 4872.9076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 4794.7705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 4681.9448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 4712.8363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 4604.3019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 4620.1691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 4588.6233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 4584.1169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 4638.0889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 4571.1987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 4757.1925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 3435.6433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 4156.7766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 4373.2090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 4159.4182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 4509.5372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 4638.7670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 4690.8757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 4740.3567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 4720.9535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 4942.8761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 4606.4816 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 4512.9808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 231.9904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 4765.1561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 4888.2536 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 4763.3531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 4812.5214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 149.7686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 4179.8424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 4749.8975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 4821.7100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 4739.4723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 4873.2046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 4899.0160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 4906.9888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 162.2812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 4557.9205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 4641.8389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 4570.6958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 178.8768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 138.2817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 4585.5301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 124.2197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 4756.7792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 125.1244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 4709.1328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 172.4353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 103.1945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 4342.0939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 102.6943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 80.5752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 91.5481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 74.0279 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 1.1128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 4174.2576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 4602.2209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 4443.4031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 4483.2918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 4647.0183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 4538.4548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 4506.1895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 130.9104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 138.3917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 4611.2593 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 4219.1433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 4439.4788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 4410.9089 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 177.4419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 4655.7505 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 4637.4487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 4742.9454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 4656.6858 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 4825.5228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 4770.7085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 4723.0660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 4672.8095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 4656.9709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 4625.9007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 4708.0451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 4745.8196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 4635.4535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 154.4909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 4610.7338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 137.2232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 4926.7238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 4886.2278 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 5797.9822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 44.8024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 4662.2239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 128.3368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 4898.9638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 145.5273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 4928.2789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 217.6552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 5050.8554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 4845.5298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 169.0797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 159.1926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 4729.1736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 4760.2647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 4895.6763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 139.1888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 142.8831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 4815.3577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 4970.7764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 4906.0980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 133.2778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 129.3240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 4865.2253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 4724.3253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 4966.0120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 4880.6674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 77.3802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 91.5535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 73.3389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 5105.4828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 4985.7330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 128.7352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 5002.6728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 4614.8210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 4847.1948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 4884.3901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 4978.8074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 4885.8192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 4806.1304 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 4811.2467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 4935.6133 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 4834.5392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 4772.2235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 4993.0451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 5052.4482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 4934.0761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 4743.4018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 4936.3750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 4681.5381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 4265.5669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 4657.0505 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 166.0113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 4529.8284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 4558.7565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 4795.3655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 4657.0040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 4820.3257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 4697.2625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 189.4161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 167.7956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 159.4311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 164.0622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 4622.5871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 4501.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 171.5963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 127.4719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 3933.6402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 4594.5302 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 4507.3427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 4594.0063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 4822.0678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 4691.4784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 4769.0853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 4874.6168 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 4796.5774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 4821.2176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 124.0038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 4761.4634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 4809.9963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 4800.8346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 4862.9357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 108.9073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 109.4364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 83.1682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 4696.4032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 116.5173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 101.3585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 104.1725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 116.8577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 124.8090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 148.2159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 143.1925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 152.1093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 4671.5896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 152.0214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 4714.9864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 130.1604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 4680.2945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 4646.0942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 4829.0336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 96.5027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 142.5582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 4812.0544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 137.4378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 4763.6547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 4793.9312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 114.0573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 1.0965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 4107.4816 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 4611.7724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 4384.2936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 83.1052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 88.0600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 49.3226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 45.5234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 71.9754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 54.5379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 46.0653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 70.3637 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 108.6224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 131.6372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 122.7190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 63.4221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 104.5492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 77.6211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 116.1060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 82.5008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 129.4944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 80.0579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 145.3000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 4358.8636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 4647.7479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 4633.7118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 4487.1586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 4558.7009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 4676.3124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 4663.3693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 4817.3772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 4615.2717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 4612.6122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 4551.9709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 4737.6696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 4568.8107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 4705.3906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 4669.4443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 4690.1588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 4683.0487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 109.2112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 4542.4681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 4679.7797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 4469.8091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 4700.8791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 5005.6284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 145.5188 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 4179.4118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 136.2653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 126.0904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 5031.4259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 148.9448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 39.7244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 4925.6403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 5071.0356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 5241.0332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 5065.0031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 37.4602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 5317.8626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 4900.5365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 4366.5738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 5045.2636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 5759.9223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 134.3960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 4715.7464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 4786.0073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 4754.1165 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 21.7779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 173.4602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 4597.1019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 138.6214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 130.4788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 111.2145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 139.6509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 4866.8114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 82.0625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 113.3689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 126.2652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 5391.7798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 126.5407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 131.2872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 126.5987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 80.6691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 4579.6549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 4775.9599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 137.7733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 117.7522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 4882.5753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 114.6459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 4804.7020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 5053.5797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 5697.4722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 5242.1493 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 6356.8597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 5462.1275 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 100.8645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 14.9906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 30.9065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 6.0723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 91.3385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 23.7089 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 46.3788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 5052.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 133.9270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 130.2588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 23.2226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 139.2928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 5110.6519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 51.4873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 14.9257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 6008.7484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 5819.7247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 5710.8777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 5244.5878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 9.6837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 6077.5475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 5696.3491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 4741.8518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 5041.7231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 125.9928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 4649.8734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 143.6311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 4814.3959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 124.1111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 129.1650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 99.5893 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 103.2339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 85.1695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 85.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 126.3200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 122.9407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 83.2432 | Path: GPU-cuStateVec MPI-distributed (2 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 80.22s (includes QPU queue + RTT) -[LiH] Time/iter: 0.10 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 1.9065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 6131.6238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 6492.6341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 8283.4519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 8947.4517 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 8145.8672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 8970.3205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 8492.1443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 7632.7312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 9092.8834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 7238.3374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 3.5222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 7664.4954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 73.9401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 5705.5237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 8788.1417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 8462.9406 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 8139.6437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 7282.6187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 7018.2264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 121.1102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 4.3545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 6865.6341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 14.8712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 102.8265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 7741.8687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 21.8567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 6700.5173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 6913.6822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 8589.0516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 8037.1144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 7393.4554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 9350.7793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 7331.7096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 7219.4214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 77.2996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 7816.3732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 7016.8627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 9314.4564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 9260.6690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 7822.5326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 7909.7072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 39.9028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 7424.8959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 8338.7529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 7998.9245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 9313.9306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 7170.6005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 7981.6241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 7954.8093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 7852.7425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 1.8767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 6625.8996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 86.8827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 9187.9292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 8259.4234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 9292.9753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 7497.4830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 7873.8558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 8892.1218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 7437.7098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 7314.4961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 1.8845 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 6702.7628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 1.8561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 6504.5662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 7865.3455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 7372.0726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 6877.3621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 7015.7446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 8225.0053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 7386.8346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 8943.9982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 7650.6734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 9747.6933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 7884.0310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 105.5951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 7931.6265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 7834.6051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 7611.3968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 8008.1905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 9141.5982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 8024.8050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 2.0669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 6708.2451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 8195.5165 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 7233.0750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 13.3961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 7292.1197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 7117.1547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 7991.8743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 7689.6004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 7836.1639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 7202.7331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 7425.4086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 8031.4429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 7787.4365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 7557.4849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 6852.9309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 8426.2746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 8477.1814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 7172.9605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 7692.8275 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 8683.4959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 7401.8573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 7946.9922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 9186.7866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 9094.2850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 9639.8801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 9708.3539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 7692.3678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 7590.6922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 8058.8958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 7866.0503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 9192.9192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 7653.4040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 7140.5322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 1.8801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 6420.8137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 7230.4599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 5886.8397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 6760.4425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 9533.1328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 7760.6263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 7349.2583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 112.2359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 1.7574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 6139.1815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 7254.5559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 7439.6475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 8007.2692 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 7464.5739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 7451.9282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 6927.6160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 1338.1277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 8453.1813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 7197.5354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 7458.1455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 9410.1212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 5.6378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 7216.7988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 7356.7216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 9362.4702 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 7922.1705 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 7682.4164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 6815.0331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 7299.8635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 7382.3666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 7777.6013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 8115.9011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 9765.1614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 7585.6908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 7222.6659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 7745.4354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 8104.2690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 8932.7231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 7097.2846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 6948.8105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 8892.3153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 8897.1510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 7612.6082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 1.9483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 6720.3404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 7359.7798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 10394.1294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 7261.6425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 7870.9095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 7783.0556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 75.9241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 8383.7390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 8037.2215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 7510.4684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 8234.4120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 6439.1294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 6402.5623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 7645.6250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 7846.7447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 7589.7384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 7454.1799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 7055.1380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 7512.9975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 7143.3543 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 5111.3749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 6947.9476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 7831.2205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 7619.1207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 7418.5493 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 6830.2159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 9240.1039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 8721.5502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 9234.0035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 7138.0325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 8833.9334 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 7776.7243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 8022.4112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 6919.3097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 8869.6572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 7411.2445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 8919.8106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 9567.5781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 7623.9177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 201.4615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 8740.6558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 7621.8206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 7209.0232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 72.6598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 8098.2588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 7684.1808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 8589.2956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 6808.8397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 7810.4961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 7298.8092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 7674.6198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 7018.1847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 31.6554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 7735.2187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 7556.3085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 9599.6259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 7818.1738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 8345.1914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 3.5134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 4.2650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 8947.6061 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 7478.4643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 3.4306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 105.3701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 6401.6561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 7183.5103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 1.9132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 6707.1403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 7262.1707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 7101.7666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 8898.5453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 7338.8717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 8524.1423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 7315.5645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 7563.5895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 6660.4722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 6805.4959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 101.4241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 8514.5968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 7733.1224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 8021.4697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 25.5973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 9056.1207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 7512.9005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 7497.8749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 9875.6236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 8192.8551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 7424.2094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 7414.4342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 7289.1725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 3.0658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 8465.8627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 6971.9997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 1.9308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 5797.8153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 7098.1446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 6571.4248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 7688.4801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 7620.7848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 7600.8161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 7339.2015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 7525.4207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 7675.7145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 9150.1310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 7776.3593 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 7351.6547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 8220.0877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 8557.4771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 3.9262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 3.5959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 2.8541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 7241.1419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 7751.7772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 10193.4575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 9333.2991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 8401.7062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 2.0461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 5583.8966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 53.0862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 8261.6131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 1.9846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 7654.9677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 7435.0365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 7237.0724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 1.7771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 6746.6033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 8837.0535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 7509.7849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 10185.0865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 3.8119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 9731.6031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 8166.4854 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 7075.7503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 8282.7492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 7337.5549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 7858.5885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 1.6785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 6616.0876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 8940.4392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 7417.1558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 7820.2560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 8482.1728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 9006.5857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 242.2211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 7746.5787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 8755.8863 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 7363.3401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 2.9319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 6780.5047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 8402.2386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 5362.0250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 213.9235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 9045.2628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 7298.0072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 7465.5759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 8326.7362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 7236.0835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 7317.2395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 7535.9166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 9010.7091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 7258.0709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 7503.3310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 7801.7743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 6856.0390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 25.1536 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 7031.0125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 8300.0119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 7759.2672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 7933.5590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 7193.9710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 6750.6535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 6891.1626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 1.9046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 8884.8299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 120.5801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 7760.3266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 7389.7560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 8771.4455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 9028.9109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 7986.3903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 8456.2099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 7580.6218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 7616.4260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 8570.6665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 105.1009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 7680.5788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 1.9621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 6366.0518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 8119.0770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 7688.0412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 7568.3687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 6974.1866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 3.2743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 107.5675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 6844.9822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 4.1541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 8529.1778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 8013.3990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 8744.3730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 8965.8234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 8065.1896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 7083.0289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 8275.2747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 7185.6894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 8465.4321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 1.9447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 6415.0897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 7482.2960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 7923.7321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 7381.6655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 26.8685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 8713.7750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 7377.7671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 16.1634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 6880.1374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 8296.7831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 7848.4361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 7148.2944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 7561.1814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 8661.9333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 7292.1640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 8054.3740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 7381.7962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 8313.4108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 3.2382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 6515.2861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 7303.1420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 8927.9742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 7957.0413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 104.0250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 8328.8630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 7114.2116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 6965.6103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 7090.9310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 213.9057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 8042.0671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 36.2995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 7657.8987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 5785.5112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 35.9832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 7555.2762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 20.1091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 7267.2391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 62.5861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 7897.1993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 6945.3710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 8381.0255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 7674.5590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 7626.1241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 70.1495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 7883.7442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 7641.0957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 7075.5693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 7694.4587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 8130.2566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 2.2062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 6066.0142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 9043.4057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 7945.7566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 6895.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 7069.4645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 7359.5558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 7451.1243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 7926.3644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 7694.4587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 2.1742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 6661.8343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 8993.5759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 7553.3967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 7624.5261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 7328.4490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 7111.2988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 115.0301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 8754.4317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 7882.3138 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 7611.2537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 5455.3648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 7501.9904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 7435.7259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 7513.9229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 7575.5455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 8873.7875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 7744.0519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 6925.6567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 7186.2872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 20.7082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 7584.3864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 7127.5086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 7243.2231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 7188.1067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 7714.3949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 7469.8089 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 7109.4817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 8689.9793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 8966.1585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 7090.8209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 8537.1238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 8087.3685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 6292.8996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 7165.3104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 7567.3619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 7519.1356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 7203.0192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 9779.3919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 7971.4998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 7260.9201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 22.8742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 7355.2080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 8933.0043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 7314.4339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 7362.2166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 7153.1630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 8520.1419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 7555.1543 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 7316.3946 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 4.6641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 6676.4704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 7573.3734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 7914.0657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 7714.9499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 7033.7240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 7350.5121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 8952.5311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 8080.6255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 8401.2700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 8491.7462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 7591.3315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 9310.7801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 7919.8326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 4683.1400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 8572.3564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 7195.2539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 7505.7282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 8113.9696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 7155.8998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 6650.3413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 6817.0806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 8025.2376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 7959.3572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 1.8874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 6395.2263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 7458.8281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 7644.1893 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 6289.8243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 9162.7253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 10051.0694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 7702.9396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 679.4793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 7619.0349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 8105.3235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 7341.9813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 7096.8741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 7695.0159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 1.6153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 5733.7985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 6903.8866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 7178.5844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 6816.9198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 7737.5242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 7130.7771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 7631.2257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 7575.4069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 6773.3075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 8031.2494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 7496.6240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 6953.4565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 7880.1062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 92.6070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 7989.5388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 3.1467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 9052.3008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 7598.4861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 9253.7654 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 8124.3147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 8685.2206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 8297.0924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 7922.7558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 9041.1679 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 7671.3277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 7181.1867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 7860.0296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 6839.2889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 5577.5026 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 8147.2875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 7913.1235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 7347.2824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 7584.0744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 6915.8086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 7029.2382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 117.1655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 7662.5080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 8762.8364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 7149.3141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 8348.7383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 8588.7832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 7175.6335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 7988.3871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 7672.5083 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 7272.8306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 8038.0037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 2.1303 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 6393.1313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 7425.0526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 7325.9526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 7559.3953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 8114.7468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 7635.4247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 7282.7368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 8351.0516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 7630.5723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 9841.7491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 7509.7911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 8156.0211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 8215.9392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 7622.9926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 9113.3194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 9303.9739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 105.9803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 8082.5346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 9484.3972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 7972.1411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 7895.8785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 7422.4758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 7691.7988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 8291.5451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 8910.8212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 7666.8243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 7210.0364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 8197.6634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 8984.0234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 7745.2121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 7121.5512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 9384.2905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 7989.7229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 7037.0753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 6443.9261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 6204.6556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 8625.4512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 9668.4192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 7708.9933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 6986.7392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 9252.5135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 8246.1809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 8580.8162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 8100.5176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 8920.8614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 2.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 8654.4404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 2.8802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 8147.1266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 8440.6307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 8465.5850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 4.0249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 1.9186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 3.0420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 9256.1294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 55.8139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 10051.5891 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 7659.6049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 52.7097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 11178.6532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 6278.2110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 7744.3411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 8155.0177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 7990.7574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 5.5275 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 3.9041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 7052.6955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 8755.2214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 103.4951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 9492.4399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 7487.2674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 8038.5814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 7371.9116 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 7533.1350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 7346.0589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 7430.9722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 7541.1002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 8028.7462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 7893.5401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 7617.3648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 7220.6361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 8590.3294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 1.6027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 5879.0643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 7031.4495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 217.9043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 7501.2489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 6578.9454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 74.5770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 7948.0929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 8970.5668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 7711.9725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 7794.5635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 7984.1410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 171.0367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 9183.8661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 7807.3440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 7576.5542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 8225.6745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 3587.8450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 7116.8880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 6660.8408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 8040.9515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 7774.4897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 7437.7961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 111.1381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 9368.8778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 7419.4601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 7560.9984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 76.2353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 9156.2201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 9333.0255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 7358.8273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 6925.1664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 84.3050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 7983.3446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 22.1986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 5059.7789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 6818.8018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 7791.8626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 1.9585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 6418.9459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 9837.8548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 7841.2350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 8889.7449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 7848.4897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 7734.2332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 9390.9698 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 8271.0055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 7605.9190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 8284.8078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 9592.0255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 8153.6098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 8125.2265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 7921.4793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 8072.6598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 7128.3611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 126.8947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 8817.3754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 7504.9438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 6474.9559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 6539.3765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 7924.1248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 9080.6588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 8177.5811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 7619.7653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 7388.0059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 8073.2610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 9374.7691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 100.5460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 6921.8882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 7590.2008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 8308.8975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 9209.7906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 8109.3376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 7771.6780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 8780.9885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 8185.5798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 1.9788 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 6238.1663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 7891.6124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 7587.9461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 8925.0964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 7400.4602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 7841.8774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 8841.2333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 7602.1636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 9180.9512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 9045.6376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 7658.0391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 30.0182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 8025.6815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 9432.6146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 7996.8490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 9424.2831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 7476.0326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 7668.1500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 8381.7153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 7575.7729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 8853.0789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 7054.9051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 8873.7500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 7639.0049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 59.7013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 7585.4594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 7728.0823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 7643.7565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 8002.5152 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 7411.5969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 9181.3367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 7476.2331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 8665.8795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 8471.0279 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 6663.9749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 7694.7470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 7469.7655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 8369.5568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 7150.4405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 34.7709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 7774.5772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 7708.5923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 77.2765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 7859.2114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 8952.1340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 6894.7962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 60.1506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 7993.2710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 7951.3760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 3.0525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 7087.8852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 7636.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 8192.4191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 2.4740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 5875.7132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 7217.3038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 7542.1336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 9398.4962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 7451.8664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 7868.7402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 1.8823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 6740.5447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 73.3315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 7410.2309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 9003.8641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 7880.1599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 7331.2283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 7147.2319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 73.1057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 8408.6512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 3.5034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 8351.6128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 7624.1302 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 75.6127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 7799.6556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 8045.1976 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 8315.3508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 19.8707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 8973.6611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 7552.5209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 9562.7095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 7188.9491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 9821.1599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 7899.1573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 7329.0378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 9599.2886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 7804.8468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 5805.4852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 7959.3241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 6728.4085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 8057.1977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 6921.7126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 7303.6996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 7590.5311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 7338.6719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 7966.2595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 7964.8055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 8257.4995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 9234.9311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 8024.8607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 7665.9430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 8224.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 7284.4091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 7441.5067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 7885.4321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 7427.1368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 7795.5276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 6851.7475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 8109.5598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 9223.1090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 7202.4555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 7668.0148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 7850.4161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 7906.0940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 7047.7346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 7289.1494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 7883.3437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 7628.2754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 7853.6362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 7302.8917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 9381.9484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 8258.8824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 10056.4888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 8860.7145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 7496.3753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 8938.1930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 7330.2130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 7734.0008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 8000.3837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 158.2515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 7682.5799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 7406.2888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 2.9991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 7298.9065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 7801.7846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 7550.2611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 7322.4347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 8425.0779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 7985.9834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 9310.3656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 5262.1276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 7794.3939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 7953.7277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 6115.1818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 8500.8727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 8713.8520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 7699.3611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 7026.5117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 7678.9249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 6980.6758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 7700.9923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 7326.5016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 7182.8702 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 8562.8843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 7830.7069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 9540.2510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 8535.1000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 7713.3969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 8680.3893 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 7913.6204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 9285.4751 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 7192.0672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 6919.8466 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 8321.4124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 7829.9896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 7855.4627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 10128.4665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 8019.1396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 7693.0516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 7720.2097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 7065.3403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 7442.1879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 7613.0339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 10438.5680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 161.81s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.18 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 5837.5356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 7399.7273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 7634.1185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 10545.0229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 8758.4959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 94.4850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 7454.3734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 7926.3549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 8329.4063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 8071.6403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 8311.1186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 74.8207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 7769.1057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 103.8706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 8005.7047 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 2.6520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 7251.7797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 8543.8999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 69.3989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 7866.9227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 71.2225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 8719.9261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 3.5825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 7686.7669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 114.7652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 7945.6263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 8242.6965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 81.4109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 9055.8745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 8715.3424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 8220.6853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 8108.8437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 8401.5420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 8528.8640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 8240.2411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 70.7812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 9184.4256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 2.2117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 8442.1847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 8622.4337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 8602.6928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 9109.3851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 8237.2821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 77.3767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 8714.0957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 9254.4045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 2.3939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 7841.5436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 3.3392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 7936.5102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 8515.8839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 8174.7244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 71.7507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 8365.7270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 76.0811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 8703.1830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 8421.2686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 8616.3045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 8576.9156 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 7757.9701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 82.0922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 7857.6448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 8427.9406 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 15.0665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 8077.7384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 8714.3785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 8965.6107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 2.5685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 2.5657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 7738.7285 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 8959.8785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 9012.3380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 2.9984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 6407.9584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 72.2249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 70.7887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 80.1630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 8470.9377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 74.1444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 7901.6865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 7994.0438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 8439.4053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 7949.2570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 8211.3266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 6529.8953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 7162.2662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 8673.1756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 7920.2368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 8454.7485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 8083.0141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 8839.9158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 76.3613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 8190.7276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 8475.8000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 8594.3671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 8724.5652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 2.6833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 7765.5975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 8929.3194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 9201.4176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 9213.9464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 30.6871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 75.9210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 9218.9715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 8328.1688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 8901.1416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 8574.9672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 8108.1201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 7847.4589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 7849.9739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 8442.9220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 8389.1381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 8590.9468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 8392.0882 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 8493.8781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 9039.5184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 9587.6474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 72.3869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 72.3628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 9681.1411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 8435.5161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 72.3507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 8550.2329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 8418.6243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 8469.6420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 83.6985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 8708.5695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 76.8101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 8698.6457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 8278.6791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 76.4428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 100.8279 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 8181.1740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 69.4088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 8562.9352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 8984.5786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 73.2419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 8282.4477 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 9342.8382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 8159.4460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 9451.2173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 8119.2993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 8254.5246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 9012.7721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 8630.0481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 9166.9607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 8295.8246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 8025.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 8482.2719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 72.3051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 8060.7004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 8185.3468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 8398.3753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 8394.5990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 76.8693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 8412.4381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 8920.4069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 8741.4351 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 7921.6027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 113.1159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 8177.1718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 8468.5338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 74.7361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 9119.0962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 9036.9807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 9398.9453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 9179.9889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 8395.2868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 7884.4774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 9277.5229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 8276.0277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 74.7727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 8807.2478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 8075.3122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 8131.4604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 67.1964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 9070.2025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 9725.8317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 9205.9423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 71.5084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 9138.8232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 75.7494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 8567.9704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 8151.7266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 9526.9961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 9345.4427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 8683.2471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 7667.1300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 8852.9662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 8411.1451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 7754.5839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 10764.4225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 8998.2520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 8416.4794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 8490.3032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 8719.8786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 8096.7672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 113.3291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 9018.2431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 7944.3087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 49.2577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 8368.0044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 9217.6155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 11305.4591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 8401.9115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 9333.6635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 8593.9880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 398.1851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 8835.7881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 8878.0931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 6.3894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 7510.6568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 8067.2012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 7874.0271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 8709.2347 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 8114.1236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 74.9447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 7428.3354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 7893.2007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 8871.6128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 8089.5049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 83.3159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 8277.5045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 7942.7924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 99.5376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 8652.5858 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 9623.6384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 7958.4697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 9679.8735 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 8056.0385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 8667.6396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 8258.0411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 7736.7694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 8949.1108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 8527.7942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 9459.6080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 1.6222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 3.1525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 7506.3013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 72.6655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 9566.3470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 7593.5530 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 73.4205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 8408.1197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 8054.4469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 7670.6173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 8905.7568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 5944.1068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 7714.4795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 8476.1648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 77.7950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 8257.6940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 8092.6816 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 8327.4430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 8221.5124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 8886.3217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 8236.0232 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 7775.1396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 8693.8660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 8884.7971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 8803.8454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 71.5368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 8806.8439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 8280.2266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 11076.6431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 8766.3131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 9044.5177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 8463.1630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 72.9907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 8401.7264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 9317.2855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 2.5176 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 7667.4925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 11165.7094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 8986.6977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 8464.1926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 12661.9628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 8150.8770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 8321.2772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 11479.0418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 106.9700 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 8682.4257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 5921.9127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 8398.8033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 8790.7742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 6712.5002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 8192.3005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 8100.4588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 10358.2766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 9113.2612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 9092.5508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 8877.8431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 8023.7707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 8607.0703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 8771.6645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 8909.4220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 11660.2006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 9673.1082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 8103.1212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 320.8485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 8635.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 8179.0366 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 9132.8219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 8152.0217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 8493.8096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 8796.4450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 8463.3722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 8581.4521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 73.3122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 10389.3694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 8244.6657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 7777.7943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 8140.3183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 78.9954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 8026.2323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 10067.2362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 72.8939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 8073.4590 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 70.4314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 7997.1632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 102.1767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 3691.2348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | 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Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 8089.5310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 6019.4272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 8752.4645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 7794.1960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 71.2638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 7804.9723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 8715.9009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 8139.0218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 8574.6241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 8363.7519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 8309.1564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 7819.7499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 8334.0502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 7659.5487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 8992.3255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 70.7655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 7994.9428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 8282.9677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 5.4926 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 7879.3387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 8971.2875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 79.9111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 1226.0411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 8379.0490 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 7971.0831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 74.8668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 9581.2789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 8050.1221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 8489.1859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | 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Delta: 3.14e-02 | M: 8453.7055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 75.0574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 9057.2658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 30.2359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 8583.7484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 8558.3598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 8948.4596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 73.9299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 9381.9811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 8997.0137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 1.6662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 7532.4843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 8697.2579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 9386.1840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 10924.5111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 9069.2371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 76.2989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 9225.8671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 8414.2415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 9243.9259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 8158.9652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 9527.0078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 9039.7691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 8297.7409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 8638.0138 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 7687.2928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 8146.7263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 8188.8572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 79.6715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 8223.8823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 7868.9140 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 7866.0090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 8195.3806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 8268.6553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 9397.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 111.9949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 8988.3987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 71.8193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 8257.7770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 13.0160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 65.9261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 8217.0364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 8236.0982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 8391.6597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 6294.2348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 7655.3885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 7799.5350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 9874.1059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 8524.9999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 9656.2966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 72.1015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 8436.9067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 8283.1079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 8220.6238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 8405.9317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 9587.9550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 8013.2131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 8405.3759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 7582.1333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 9270.4843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 70.1491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 8176.7470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 8244.5400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 8409.9262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 8108.5111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 129.4226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 73.9252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 8132.4789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 8362.3029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 68.4142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 8989.3966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 8256.9204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 9648.3558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 9001.2583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 78.2591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 9392.2627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 8607.1109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 8008.4088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 7944.9055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 8771.8019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 8164.4001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 4.6936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 2.6643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 7858.5906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 8779.5044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 8241.7742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 11330.2146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 9493.7357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 8485.6243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 10921.3327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 8315.7465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 67.7297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 8383.1093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 8822.3884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 9157.8750 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 8454.6955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 8846.5043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 9632.6767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 8563.1826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 8060.5589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 8914.4325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 8106.2338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 70.7709 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 9266.4851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 8728.3560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 71.1117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 8949.2690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 9171.3535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 79.6310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 8298.3127 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 11770.8631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 8596.7111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 8436.0685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 1.4218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 6791.9009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 8139.8885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 9507.3847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 8316.5634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 7980.3774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 8292.0803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 7901.5639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 8277.7464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 7990.0577 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 101.0859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 8255.6183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 111.2335 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 8234.4597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 8345.5558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 6607.8633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 8176.1463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 90.8665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 76.2395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 8713.1724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 10641.9068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 8158.6433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 3.5063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 7466.3703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 2.4942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 7282.1704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 7590.9126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 8008.0254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 8086.9944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 77.2513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 9123.3215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 113.7037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 8078.9390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 7914.4254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 2.9068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 7756.6881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 8370.3467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 8342.5671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 8439.0389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 11231.5330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 8490.9476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 8756.9008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 9182.0629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 8951.2878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 8522.7325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 8120.2821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 9014.1581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 8555.8437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 8327.7124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 8943.0338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 9365.1245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 8900.3161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 7375.4989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 8242.8722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 8067.1530 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 8249.4639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 8528.5395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 8494.7621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 8929.6396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 8120.3951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 98.7486 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 8524.3174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 8830.1620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 8491.3162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 8416.7401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 8357.8438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 8105.1544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 8404.6853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 8559.3430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 9113.0455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 5.2746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 10882.2884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 10731.1984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 9435.9787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 8930.9538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 8604.3724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 9647.6027 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 10949.7604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 77.3345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 8416.1393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 76.4237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 7939.3591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 8831.0839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 2.9592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 95.2394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 8705.4236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 80.8131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 8557.2076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 8249.5376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 8088.7420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 117.4833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 8463.7826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 7753.5034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 8695.3629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 5765.5142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 6235.1479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 8731.9221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 11228.9556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 8749.3421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 8020.4186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 8234.8428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 8636.4785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 8123.9070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 8489.2118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 7938.3607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 9004.7489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 3231.5106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 7372.2048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 8532.6989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 8099.5328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 8200.4757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 9037.9547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 8024.9184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 115.1608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 8173.4109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 7878.7871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 9168.1436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 8459.2695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 8266.1723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 7863.7420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 2.2822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 7212.5274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 8532.5607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 7872.2880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 7823.8360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 7783.1340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 118.3968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 74.2896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 7991.2614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 8346.1952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 76.6096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 76.6952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 8597.0985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 8068.5494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 8709.5722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 7765.6747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 10026.8318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 8447.9409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 8105.5381 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 8186.2137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 9127.3691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 9757.5395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 8935.6100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 9189.5371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 8110.9396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 8171.1701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 8095.1487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 80.5720 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 8158.5728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 8463.9907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 9496.8660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 8208.3907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 8024.0552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 8300.6155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 8436.6053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 2.5676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 7376.2950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 8411.0237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 105.4136 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 9056.8779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 9644.0331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 8752.8164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 8897.2976 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 8027.6533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 8698.6376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 8358.0434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 8904.5945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 8060.6693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 9401.3812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 8521.4678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 70.9901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 7637.7478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 8719.4927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 9369.6085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 9477.4774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 8129.4309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 8832.5941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 8147.7643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 7275.6450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 7354.4852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 8863.9495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 9009.1683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 9167.0950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 7804.1012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 7920.2187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 128.2811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 8405.8967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 8402.4890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 71.3389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 8225.2992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 10099.3492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 7989.4761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 7794.2231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 9080.1865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 9211.7868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 8751.4339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 75.5268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 8853.2461 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 71.1950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 9068.5412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 8209.9421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 8159.1211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 72.3204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 8517.2548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 104.8109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 79.7752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 8304.5478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 8634.7456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 71.9967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 83.3051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 9600.2912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 8951.3434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 8211.4739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 75.5774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 8576.3573 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 8347.4008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 99.7475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 8631.5923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 9198.0599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 8990.9021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 8497.8322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 8413.8560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 7644.7013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 8166.8614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 7393.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 8349.1477 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 9066.3472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 8132.9986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 9078.3219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 8236.1129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 74.5735 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 8039.4322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 8135.8808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 8958.6492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 8803.4124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 10017.9147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 8172.0143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 7884.2299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 7246.3698 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 8644.7091 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 8128.6629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 8958.5364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 8846.9362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 72.9383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 7831.9598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 10205.3423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 76.2324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 8894.3419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 8950.1238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 1.4469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 6982.3157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 8380.4716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 8048.3569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 10520.1370 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 8724.1947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 77.9292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 7650.3526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 6882.6682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 76.5348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 7759.1375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 7780.4011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 8984.9729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 7648.0145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 73.0881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 7876.6433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 8656.3072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 8860.1597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 8276.9997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 103.7598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 8669.7564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 7881.2881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 8003.4143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 8946.6714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 97.9619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 9325.6808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 10775.5981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 8326.5339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 8209.6809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 8620.8296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 8696.9850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 8593.1005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 79.5778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 8385.3896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 10135.1615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 7825.9689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 37.4964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 8491.9242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 7359.0034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 7893.5180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 5.0612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 7642.5905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 8650.4932 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 9257.1614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 8337.8629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 8470.6274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 8164.3618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 71.2824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 8405.7682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 9162.3806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 8345.7007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 105.7541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 7200.8697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 7299.6094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 10255.1393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 8466.3731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 7760.1076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 8843.9508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 8018.9023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 7830.1755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 8098.7967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 8301.7646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 9158.6500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 8555.8681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 8014.6887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 8325.3254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 8367.6365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 75.2639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 8551.0929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 8621.6996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 8676.2840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 8267.9804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 2893.0118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 72.6873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 9222.4365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 7651.6427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 105.8456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 9218.5902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 10158.7063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 10746.2506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 8723.3149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 8161.2522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 9287.9952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 7787.4134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 76.0483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 7884.2769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 8145.7515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 8194.7336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 103.1906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 8121.4309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 8518.4506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 8740.9132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 7819.6109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 8993.3337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 7622.8742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 7522.9103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 8828.1099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 52.1783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 8451.7005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 2.5321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 3.2952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 7684.8947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 8330.1928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 8436.3958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 8958.3075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 8160.6392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 76.1875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 8852.1762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 8437.8500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 8715.1241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 8620.5031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 170.2311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 8410.5215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 8717.9252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 9218.9029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 8105.5840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 66.2563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 8119.7606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 1.8844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 6625.4833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 10213.5630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 8720.1046 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 8884.7035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 7247.9965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 7886.2535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 72.0229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 8641.0230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 8748.3516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 7763.7268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 8027.7521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 7998.4791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 6673.8974 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 8688.2667 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 8146.9713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 8009.0070 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 8589.6811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 8464.2693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 8020.4192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 7913.9664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 8462.7502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 8120.2918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 8172.4212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 74.0547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 8122.6041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 71.6770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 8433.0253 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 7908.8392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 8019.6071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 7970.5446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 8698.1045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 21.1124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 7835.8448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 7691.6681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 70.4351 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 8096.3579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 8364.7049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 8255.1669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 9097.3395 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 8311.8504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 8201.4684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 8572.7810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 8669.4483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 8813.6958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 73.1774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 8550.0471 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 77.2100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 7937.1718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 2.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 181.75s (includes QPU queue + RTT) -[H2O] Time/iter: 0.20 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=2 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 4948.5723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 4576.1120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 142.9418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 137.8113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 4673.6338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 126.6707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 139.3427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 138.9436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 92.3273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 117.9359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=2 T_total=1.0429 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=2, molecule=LiH) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.393333 | Delta: inf | M: 0.4878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.558221 | Delta: 1.65e-01 | M: 4098.9439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.683524 | Delta: 1.25e-01 | M: 4535.4249 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.969214 | Delta: 2.86e-01 | M: 144.1340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.124101 | Delta: 1.55e-01 | M: 152.2729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.536693 | Delta: 4.13e-01 | M: 127.6000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -2.211627 | Delta: 6.75e-01 | M: 155.2016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -2.321251 | Delta: 1.10e-01 | M: 162.5575 | Path: GPU-cuStateVec MPI-distributed (2 ranks)hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[ 461.24s] Log closed - -Iter 0009 | Energy: -2.744259 | Delta: 4.23e-01 | M: 4616.6252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -3.048238 | Delta: 3.04e-01 | M: 4771.1384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=2 mol=LiH terms=631 terms/rank=316 T_total=1.4425 T/iter=0.1443 final_E=-3.048238 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 2 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 16.60 0.0830 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 80.22 0.1045 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 161.81 0.1806 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 181.75 0.2028 -[Results] Saved to results/simulator/simulator_20260416_233151.json -[ 461.24s] Log closed diff --git a/results_hpc/slurm/vqe-scale-P1_2556.log b/results_hpc/slurm/vqe-scale-P1_2556.log deleted file mode 100644 index d61d0e5..0000000 --- a/results_hpc/slurm/vqe-scale-P1_2556.log +++ /dev/null @@ -1,3487 +0,0 @@ -=== Slurm VQE GPU job === -Host: haskell -Job ID: 2556 -GPU: 0 -MPI ranks: 2 -Thu Apr 16 23:32:30 2026 -+-----------------------------------------------------------------------------------------+ -| NVIDIA-SMI 580.126.09 Driver Version: 580.126.09 CUDA Version: 13.0 | -+-----------------------------------------+------------------------+----------------------+ -| GPU Name Persistence-M | Bus-Id Disp.A | Volatile Uncorr. ECC | -| Fan Temp Perf Pwr:Usage/Cap | Memory-Usage | GPU-Util Compute M. | -| | | MIG M. | -|=========================================+========================+======================| -| 0 NVIDIA RTX 6000 Ada Gene... On | 00000000:11:00.0 On | Off | -| 30% 24C P8 25W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ -| 1 NVIDIA RTX 6000 Ada Gene... On | 00000000:61:00.0 Off | Off | -| 30% 23C P8 24W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ - -+-----------------------------------------------------------------------------------------+ -| Processes: | -| GPU GI CI PID Type Process name GPU Memory | -| ID ID Usage | -|=========================================================================================| -| No running processes found | -+-----------------------------------------------------------------------------------------+ -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) available -[Stack] Initialized 1 MPI rank(s), GPU=enabled, SV_backend=GPU (cuStateVec), backend='simulator' - - ---- RUNNING CHEMISTRY TASK H2 --- -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036757 | Delta: inf | M: 11880.9387 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.034346 | Delta: 2.41e-03 | M: 5533.0887 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.041786 | Delta: 7.44e-03 | M: 6815.9537 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.022947 | Delta: 1.88e-02 | M: 7280.5078 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -0.039845 | Delta: 1.69e-02 | M: 6991.6238 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.032940 | Delta: 6.91e-03 | M: 7025.6832 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -0.038593 | Delta: 5.65e-03 | M: 7375.2753 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -0.034324 | Delta: 4.27e-03 | M: 6846.8937 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -0.038720 | Delta: 4.40e-03 | M: 7540.0607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -0.038716 | Delta: 4.22e-06 | M: 7682.0741 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.041388 | Delta: 2.67e-03 | M: 8166.7731 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0012 | Energy: -0.039931 | Delta: 1.46e-03 | M: 7907.7535 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0013 | Energy: -0.046354 | Delta: 6.42e-03 | M: 7851.7003 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 2370.2703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 8565.6179 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 8140.2962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 8493.3187 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 8287.0678 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 7792.1600 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 8422.9054 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 8290.3813 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 8220.2962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 5983.9124 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 6370.2750 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 7734.0196 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 7685.3811 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 8441.7455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 8709.6978 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 8631.3462 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 7978.4626 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 7880.7301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 8283.0673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 8082.8486 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 7972.7257 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 8185.3207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 8592.3688 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 8247.4093 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 7972.6361 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 8180.8825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 8487.8031 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 7633.5987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 7075.9627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 8346.7862 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 8177.3100 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 8148.2723 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 8136.5200 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 8318.7674 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 8313.0243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 8365.1296 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 7878.1084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 8198.5871 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 7928.0934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 8588.0061 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 8178.4002 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 8395.1964 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 8533.7791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 8307.3646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 8295.8777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 8128.0805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 8189.7456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 8312.0252 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 8589.8433 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 8148.4862 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 8156.4323 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 8174.4835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 8189.1948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 8392.7908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 7996.7688 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 7959.0360 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 8285.4325 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 8192.9290 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 8959.3125 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 8525.3033 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 8782.8544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 8204.5522 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 8200.2582 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 8678.5894 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 8367.2734 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 7734.8467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 8366.4711 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 8568.8281 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 8290.6062 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 3912.4408 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 8137.3731 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 8454.0283 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 8228.7856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 8297.5005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 8172.8237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 8622.1948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 8279.4949 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 7772.7600 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 7585.4633 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 7590.1167 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 8276.0657 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 7952.3503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 8160.2027 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 7804.4276 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 6876.5273 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 4531.5845 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 6467.2406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 7873.1158 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 8090.7386 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 3811.7207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 8301.7339 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 8562.9397 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 8356.1762 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 7906.8348 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 7731.4959 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 8170.5816 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 7858.5984 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 8385.9580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 8052.6330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 8066.1514 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 8445.8940 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 7826.9270 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 7971.6975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 8120.8296 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 8276.2564 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 7865.1245 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 8054.2525 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 8273.1020 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 8041.9419 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 8042.9441 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 8128.9495 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 8262.1337 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 8273.3674 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 7586.7476 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 7934.2041 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 8084.8139 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 7953.4184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 8057.1091 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 7846.7008 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 7992.0148 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 8113.9019 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 8495.4082 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 8155.4125 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 8006.4206 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 7996.3013 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 8524.1710 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 8236.6315 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 8136.2962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 3831.8192 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 8061.3456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 7868.6797 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 8821.9114 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 8346.7261 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 7902.8495 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 8112.7585 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 8295.9507 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 8319.7534 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 8144.3519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 8382.8411 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 8134.2947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 7471.0922 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 7870.2297 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 7390.8268 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 8037.2040 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 8155.3127 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 8460.0769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 8076.1625 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 7223.6708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 7719.4871 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 8302.0448 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 8442.3392 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 8559.1872 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 7211.9306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 7113.7869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 8121.0708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 8351.6546 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 8475.4360 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 8255.1449 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 8298.0767 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 7702.7222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 8189.7681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 8332.7387 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 8076.9307 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 8273.2450 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 8324.8815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 8348.0784 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 7910.8414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 8139.5815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 8133.5975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 8385.9974 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 7973.6172 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 8031.2930 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 8402.5384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 7904.3929 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 8079.7936 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 8109.4385 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 8598.1028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 8079.4983 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 7989.2197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 8285.5604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 8105.7324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 8176.1004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 8163.0697 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 8472.3344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 8129.0484 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 8364.6807 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 8369.1801 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 15.65s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 10791.1536 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 10622.8821 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 11205.8997 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 11620.8696 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 11272.3725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 11706.0037 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 11107.9559 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 11640.7012 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 11264.9135 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 11583.9371 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 11597.3442 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 11458.5127 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 11550.8453 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 10909.2399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 11961.2207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 12177.5716 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 11538.9987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 6183.5234 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 11035.6632 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 12058.0313 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 11687.2705 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 11546.3829 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 11373.7224 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 10978.5935 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 11498.6197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 10727.3099 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 10728.1548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 11842.0627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 4327.5213 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 12250.4021 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 12089.9774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 12759.0993 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 10763.8229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 10907.5571 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 12156.4718 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 12591.0552 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 12814.8325 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 12932.0991 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 11547.5511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 13422.1300 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 12233.8153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 12605.9708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 12831.6904 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 11601.8914 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 5448.0712 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 7075.1440 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 5435.8230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 7158.9670 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 8710.4150 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 5037.0486 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 11979.3043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 14113.3881 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 12820.6725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 11768.8892 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 12427.5960 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 12314.1144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 11633.5745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 12376.3898 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 11739.4537 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 12150.4295 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 13049.1670 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 11731.9099 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 11648.2532 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 11518.1247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 12510.3135 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 11584.1726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 9902.7523 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 9735.7661 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 11599.2011 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 12672.3884 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 12011.1962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 11771.2657 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 13289.8210 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 13500.7583 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 12172.1005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 13071.5351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 12708.7728 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 12037.4947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 11770.0898 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 12665.4664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 12269.8593 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 11996.5331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 13046.0825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 11790.7258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 14056.5986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 11712.1482 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 12141.6329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 12315.3202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 4063.7104 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 13014.3293 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 11971.0026 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 11902.5351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 12407.0567 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 11537.1172 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 11217.2928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 12162.3504 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 11484.2070 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 11853.9966 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 12187.6785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 11682.9895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 11124.9393 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 11442.1803 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 11624.5248 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 12225.1060 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 12246.4680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 11367.3340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 11575.7255 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 11690.8689 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 11270.6628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 12069.3898 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 11455.3623 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 11275.0725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 11301.9208 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 11885.2246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 11976.8626 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 12224.0699 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 11207.2577 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 11537.8114 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 11101.6779 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 11460.2865 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 11931.8205 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 11351.9217 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 12130.2460 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 12082.7458 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 12346.5435 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 10871.9386 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 11579.9752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 11507.2939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 11776.1599 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 11557.3543 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 11818.6813 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 11668.5417 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 11925.0558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 11642.3404 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 11290.3498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 11071.6056 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 11500.3589 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 11095.2541 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 11624.6019 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 11510.1470 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 11484.9908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 11197.7789 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 11529.2745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 11495.4952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 11706.7344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 11939.3987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 11591.1179 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 11426.0004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 11601.1530 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 11027.6741 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 11222.2522 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 11285.8626 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 11016.2582 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 11830.1903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 11752.2167 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 12059.1380 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 12162.8926 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 12463.5806 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 11606.1538 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 11509.6111 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 11846.5547 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 12247.8791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 11576.7812 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 11982.7104 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 11611.0480 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 11689.3044 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 11053.9602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 12088.7212 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 11557.4163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 11714.9772 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 7369.1256 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 10605.5390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 4910.2384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 5165.0354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 5767.6114 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 9650.8181 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 10669.6316 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 11265.6118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 10913.1736 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 12162.1866 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 11213.9285 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 10952.7109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 11665.8340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 11560.8391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 12264.7589 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 11481.7905 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 9321.9273 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 8438.2829 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 10288.6491 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 11296.2916 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 11491.2749 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 12136.6965 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 12219.7570 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 11382.1522 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 11872.0938 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 11874.0620 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 11825.4755 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 12575.2464 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 12012.7864 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 11974.0870 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 12434.1133 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 11541.9569 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 12065.8105 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 12341.6548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 12060.2071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 12925.6939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 11023.4063 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 11862.5185 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 11279.5593 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 11913.5029 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 12475.1647 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 11318.5685 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 11679.5471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 11849.8807 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 11951.8598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 12315.0254 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 11775.8384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 11506.1752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 11940.7805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 11748.8908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 11717.1652 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 11542.6771 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 12016.0246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 7663.0032 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 11807.2443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 11383.3035 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 11431.3855 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 12054.4425 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 11680.2395 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 12296.5274 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 12142.5302 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 12276.1216 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 11977.6373 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 11986.2607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 12214.9078 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 11959.6305 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 12033.5964 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 11934.9321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 12324.5001 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 11820.1410 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 12034.8829 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 11995.2498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 11706.0832 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 11288.1228 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 12791.1890 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 11596.9115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 11461.3945 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 11393.7281 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 11991.3614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 12222.5604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 11974.9290 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 12277.1934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 11906.8196 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 11860.5351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 11768.4454 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 11421.3200 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 11071.1580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 11946.5008 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 11925.7175 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 11577.1579 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 11541.1755 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 12127.2813 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 11543.6703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 11600.2827 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 11690.6193 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 10977.4088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 11799.1163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 12226.0975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 11572.1413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 11684.1680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 10855.7831 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 11625.0091 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 11890.9835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 11672.9057 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 12055.2607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 12311.3691 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 11272.3454 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 12112.6857 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 12087.8958 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 12544.2725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 11514.6298 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 11844.9015 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 11477.1246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 11745.1527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 11960.5006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 12014.2001 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 11316.5820 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 12030.9333 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 12295.3693 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 12256.3016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 12313.4301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 12039.8940 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 11992.6529 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 11936.9121 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 11904.6487 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 12030.9723 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 11750.8615 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 11622.7039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 11478.9608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 11538.8260 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 11952.5480 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 11902.8919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 11680.7193 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 11741.2364 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 8858.0029 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 6374.9141 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 7835.4112 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 11139.9861 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 11086.6063 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 11546.6428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 12243.3880 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 11835.3800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 11535.6170 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 11440.5116 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 12192.5244 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 11718.2852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 11462.5214 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 12380.4823 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 11772.0405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 10931.5083 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 11787.3699 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 10722.3167 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 11617.2483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 11622.0306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 11540.7183 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 12181.9390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 11884.0326 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 11408.8949 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 10875.7304 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 11874.8059 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 11398.1509 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 11702.6560 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 11686.6149 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 12058.6660 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 11675.6849 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 10916.2418 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 11388.1457 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 11702.1996 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 9007.8602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 12119.0068 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 11823.9957 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 11861.7422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 11549.2202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 12076.2332 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 12019.7072 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 12285.4986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 12216.0044 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 12497.3413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 12607.4906 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 11700.3467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 11887.6755 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 12575.3859 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 11785.2584 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 12448.8722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 11930.1218 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 11857.9283 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 11553.3828 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 11900.0937 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 12280.8237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 12156.0684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 12080.7550 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 12016.3507 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 10822.4194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 11869.8535 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 11564.8307 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 11604.5663 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 11986.6944 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 12091.8466 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 11855.2616 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 12034.3839 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 12183.4893 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 11496.9503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 11920.9012 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 11958.6360 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 12065.7736 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 12557.3726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 11904.4088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 12211.9926 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 11888.1020 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 12134.4690 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 11408.7178 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 12031.1163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 11952.9749 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 12246.2662 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 11924.5780 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 12474.8893 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 12529.0050 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 12015.4607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 10418.7887 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 11745.1110 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 11316.3299 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 12335.6533 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 11853.3579 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 11358.1483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 11708.5657 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 11049.2631 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 11496.8140 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 12570.2677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 12277.9901 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 12083.2785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 11543.2049 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 12245.6048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 11325.8503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 12078.6611 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 12079.3047 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 12186.9706 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 11011.9832 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 11777.7944 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 11584.8980 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 11905.7994 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 12762.0061 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 11547.3086 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 11878.2819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 11724.6038 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 12265.8680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 12770.8575 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 11565.5189 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 10630.7470 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 11798.6253 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 11870.3445 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 11371.8327 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 11819.6931 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 11813.5195 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 10629.6519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 8433.8855 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 11102.5176 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 10822.1106 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 12440.7725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 10798.2433 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 11908.4902 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 11623.6014 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 11623.6172 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 11870.2006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 12682.0099 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 8674.2322 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 11165.8610 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 11889.0589 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 11743.1185 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 11259.1929 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 11186.5679 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 11664.6754 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 10955.4480 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 11626.3415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 10530.4471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 11678.8301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 11873.9924 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 12219.7502 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 11864.1925 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 11965.4999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 11676.0647 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 11727.4629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 11620.8072 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 11205.2873 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 10974.5888 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 11011.0116 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 11988.9858 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 11692.9840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 12454.0785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 12407.3901 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 12478.6306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 12141.8321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 11530.4728 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 12358.9118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 12194.3194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 12356.0331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 11533.5389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 11748.7513 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 11895.2488 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 12153.4321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 10984.6922 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 11438.6536 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 11864.5160 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 11549.6670 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 11673.9105 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 11266.2002 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 11157.5002 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 12089.5835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 12224.6563 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 11229.5071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 11432.8919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 11903.0877 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 12075.1390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 11089.7768 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 11758.9915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 11361.7101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 12117.7919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 11440.2400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 11907.0712 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 11711.6170 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 11354.7677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 11128.4698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 11924.8467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 11194.3249 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 11553.5567 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 11645.2608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 12268.1311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 11565.5987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 12279.5099 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 11781.8229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 11617.1789 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 11949.9928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 11533.9447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 11539.0331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 11893.0190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 12027.5598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 11630.4256 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 11163.8868 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 11061.8237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 12047.6477 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 11844.9399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 11391.4377 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 11610.2993 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 11136.0439 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 11529.0329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 11669.7525 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 11685.3297 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 11797.1590 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 11920.0329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 11277.1608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 11309.0101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 11085.1516 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 12187.3277 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 12794.9764 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 11705.0572 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 11962.4773 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 11306.8722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 11538.5190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 11793.3673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 11934.2437 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 11705.6463 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 11608.2821 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 11852.2769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 10775.0965 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 11880.5363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 11716.0418 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 11234.9614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 11377.7709 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 11951.8212 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 10922.3333 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 11656.0255 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 11877.0068 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 10815.9912 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 11352.3240 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 11675.7748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 11643.3668 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 11695.8397 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 8855.3548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 8765.1380 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 11010.0666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 11793.8204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 10722.8737 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 12048.1903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 11870.8610 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 12060.4620 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 11510.9356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 11657.4677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 11916.0851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 11911.4625 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 10387.2037 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 13203.7708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 12129.6672 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 13190.2605 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 14463.1682 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 12369.9153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 6309.8261 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 6888.2268 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 9412.8194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 12667.7614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 14581.3490 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 12771.7544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 13671.6109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 13859.8745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 13790.8604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 13739.6511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 15529.0852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 14129.3365 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 14856.8118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 14166.1448 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 14772.7653 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 14536.0856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 13981.1905 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 13336.3004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 15423.4079 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 14066.8689 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 15939.5155 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 15355.7740 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 14808.2184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 16035.7258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 13348.0739 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 15295.3043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 13365.2371 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 13616.9101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 12737.4698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 12017.8542 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 7500.0348 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 17123.2750 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 21170.9738 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 21661.8694 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 12219.0991 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 14395.9596 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 15140.0369 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 16992.7431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 14917.6252 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 16056.0268 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 16078.8999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 19673.7700 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 14795.2764 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 14220.7721 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 11516.3902 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 12130.9630 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 11647.6669 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 12504.8549 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 11523.8396 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 12050.7390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 11753.0745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 9090.5034 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 12288.6851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 11666.9632 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 7831.5294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 12896.4749 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 11703.8903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 12275.8254 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 11882.1317 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 13659.3359 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 11502.1558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 12256.5589 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 8799.8354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 12204.6869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 12223.4141 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 11845.6123 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 12575.4777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 12983.2597 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 11968.7842 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 11958.2357 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 11609.5633 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 11135.5802 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 11635.3005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 11953.0623 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 12270.0202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 12578.7970 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 11823.6132 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 11439.4493 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 12115.8583 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 11619.7408 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 12117.2516 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 12717.8115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 11840.2661 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 11916.6774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 11719.0283 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 12294.9757 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 11724.3266 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 11723.9906 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 11759.8224 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 12157.7314 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 11571.9356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 11714.1232 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 12314.0751 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 12304.6133 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 11867.7189 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 11594.6363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 11828.0973 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 12343.4842 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 11508.8655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 11363.0622 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 8683.2770 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 10387.2222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 10898.0884 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 11968.4765 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 12145.4641 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 12151.9726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 11580.6630 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 11758.6923 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 11526.2130 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 11892.4447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 11864.5392 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 11915.9484 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 8425.5217 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 11976.2895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 12712.8143 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 12687.1896 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 12279.8599 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 12096.6602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 11609.5165 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 12727.1798 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 11770.3205 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 12069.4726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 12057.3226 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 12444.4469 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 12620.5642 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 12587.1166 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 12177.1325 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 11478.5391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 12329.5651 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 11076.6406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 11786.1830 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 12079.8527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 12266.2910 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 10646.6236 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 11629.5431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 11494.5910 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 12367.8629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 11182.0975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 12212.9591 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 11531.4294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 11738.9080 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 12036.3430 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 11556.2854 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 11555.1846 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 11768.2915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 10073.3711 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 11435.6447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 12483.9363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 12360.1333 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 11981.8877 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 11911.4528 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 12030.8800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 12308.4664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 11760.7494 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 11858.5219 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 12319.1967 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 11722.6344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 12791.6527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 12285.6216 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 13096.4538 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 11853.2058 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 13441.1828 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 11647.1367 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 11881.4011 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 11929.8672 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 11564.2229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 12541.6039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 16436.5818 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 11721.8075 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 12192.4556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 12579.1144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 12462.8139 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 12000.9012 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 12016.9390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 11917.1006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 11286.6697 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 12220.9775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 11584.9962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 11477.4875 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 12175.0799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 11968.3628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 11125.7544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 11154.1773 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 11526.0709 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 12224.7437 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 11459.8566 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 11972.4465 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 11605.7477 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 11339.1553 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 11931.6947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 11139.0820 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 11616.0558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 11385.9322 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 11311.5771 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 10894.2151 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 11588.4713 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 11186.0604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 11928.0648 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 11794.4866 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 11312.1062 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 11152.2606 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 11204.8511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 8543.0388 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 12343.8027 | Path: GPU-cuStateVec MPI-distributed (1 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 91.34s (includes QPU queue + RTT) -[LiH] Time/iter: 0.12 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 10891.8680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 10875.2042 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 9811.1109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 13351.2128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 14781.5708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 17834.5852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 18402.9125 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 18440.5207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 18461.7212 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 17534.2968 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 18012.3952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 18178.6267 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 19034.8505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 18803.0845 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 17776.7650 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 18182.0504 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 18355.1039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 13185.3560 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 6560.3774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 9305.4560 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 15332.6612 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 18033.2067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 18873.5176 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 18064.3487 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 18127.1645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 18425.5713 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 19924.7298 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 18013.2205 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 18858.3345 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 17987.7142 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 17990.4364 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 18632.2223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 18564.8442 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 18389.7955 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 18812.3824 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 18520.9661 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 18535.9034 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 19150.3650 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 18825.3934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 18893.2261 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 17938.3967 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 18391.3082 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 18853.7521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 18383.4062 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 19437.0517 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 18130.6095 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 18898.1297 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 18710.1909 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 18165.2825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 17706.9110 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 17994.3835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 17490.1355 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 17777.1306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 20085.6243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 19612.6836 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 17696.4246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 18331.0924 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 18545.0383 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 18681.7893 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 18491.9410 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 18153.3488 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 19607.0162 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 19833.8406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 19752.5068 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 18799.9115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 19621.4073 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 19305.5984 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 19404.1298 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 18886.8025 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 18332.1979 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 17722.3642 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 18335.5494 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 18352.9500 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 17723.8643 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 19525.0282 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 18574.8652 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 18818.2089 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 19125.3262 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 18810.7800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 18319.5974 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 18852.2617 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 18175.8726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 18110.9879 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 18526.5112 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 10306.4554 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 14578.1301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 18459.1647 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 17631.6197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 18474.9963 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 18222.3084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 18938.8084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 17906.3739 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 18542.7717 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 18138.8027 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 18395.5954 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 18122.7184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 18139.8299 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 18125.2137 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 19115.5923 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 20173.7241 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 17936.5705 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 19041.9943 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 17681.2019 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 11484.0847 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 13731.7896 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 17450.2435 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 17225.8492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 18595.5205 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 18738.0643 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 18324.3634 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 17847.4793 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 18988.7985 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 18311.9363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 19411.4424 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 17841.9463 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 18108.5735 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 18322.8715 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 18495.0192 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 18340.6925 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 17537.8446 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 18372.9470 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 18129.7065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 18024.2314 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 19080.7140 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 18270.9748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 17314.5368 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 18279.1195 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 18707.9961 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 18482.3918 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 18030.4430 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 17519.2254 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 17652.6893 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 18372.7501 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 18411.7968 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 18086.2514 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 18125.3781 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 17695.9577 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 18220.5939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 18414.2746 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 18193.0326 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 16704.2772 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 18479.6128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 19122.9878 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 18254.5771 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 18158.5895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 18053.9319 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 18228.2669 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 18740.2370 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 18849.9389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 18119.1796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 17789.9144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 18026.9462 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 17149.2044 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 17571.6165 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 17966.0071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 17687.7603 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 18629.4389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 19066.4329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 18590.4815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 18459.7798 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 16885.5907 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 17943.7459 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 18269.7554 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 18672.1614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 17821.6698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 18023.6211 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 18182.1849 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 18578.7071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 19247.6485 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 20769.7115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 17777.4093 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 17349.5565 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 19827.4151 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 18363.9050 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 19187.9252 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 17697.2292 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 18335.2287 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 18438.8452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 18905.2330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 18917.8601 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 18502.1460 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 18483.3026 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 18730.3108 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 14013.8897 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 15134.2822 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 17180.4211 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 18794.0505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 18715.4121 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 19041.3963 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 19131.8258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 17109.9224 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 16042.5935 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 9793.6554 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 11743.3966 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 14600.9039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 18148.0121 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 19991.2355 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 20624.9508 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 20001.4206 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 20513.2939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 20833.5498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 21102.4097 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 19765.7060 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 18736.8756 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 18928.8394 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 18684.8469 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 18923.1556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 18215.4111 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 22973.9947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 20066.1963 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 18192.9020 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 20790.3769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 19249.0528 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 18184.7794 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 19752.3556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 23414.2783 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 20597.1806 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 23629.7354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 21433.1016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 19977.3570 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 17884.3628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 21070.2088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 19565.6295 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 20484.0030 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 19596.8780 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 19688.9346 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 19279.1025 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 18164.6486 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 18992.3575 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 22252.8729 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 18117.6160 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 20276.4274 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 19529.6051 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 19012.9442 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 19378.1181 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 20458.1896 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 19377.3240 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 19371.2670 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 19040.8307 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 21019.9736 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 19246.9511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 20944.5354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 20293.7390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 19342.6412 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 18598.9032 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 18359.9564 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 18659.1684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 18512.0630 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 17968.0861 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 17881.6829 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 18617.1540 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 17793.6223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 18460.9278 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 19048.7708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 18688.9329 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 18730.3476 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 18971.8734 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 18679.0886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 18932.4679 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 18649.3288 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 19348.9447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 18679.9266 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 19088.4363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 8615.1614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 13433.8948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 17141.5917 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 17915.5422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 18101.8458 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 18554.2845 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 17819.5870 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 18009.3514 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 18033.9959 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 15384.8499 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 14915.0566 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 7255.4868 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 13826.1028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 17112.4530 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 17932.6686 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 18571.6053 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 18822.0331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 18241.2513 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 19195.5791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 19006.0049 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 18307.5237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 18273.1598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 17901.1565 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 18515.4461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 18157.2607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 18482.9303 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 18031.1722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 17255.3388 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 18482.9640 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 19330.5501 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 18320.7016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 18630.4660 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 17947.1970 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 18730.4983 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 18337.2707 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 19560.1065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 17953.0279 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 17887.0293 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 17970.7436 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 18688.7515 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 18624.9065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 18689.6616 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 17590.4337 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 18613.5789 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 17455.4493 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 18068.3413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 18538.9231 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 16979.3378 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 18535.0774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 18433.0952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 18625.4660 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 18447.4161 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 17466.8074 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 18361.6757 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 18501.5823 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 18361.7527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 18818.2238 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 18484.9624 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 18647.4414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 13674.7668 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 18707.3775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 18759.5684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 17569.1412 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 17993.2787 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 18791.7510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 18381.6501 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 19609.3331 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 18093.3434 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 18500.2990 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 17929.4681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 18859.7356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 19137.0318 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 18301.2239 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 18772.3908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 19015.2411 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 18895.1226 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 19096.6497 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 17969.6506 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 18979.6271 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 18655.2294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 18181.9288 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 19259.7851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 18855.4234 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 18943.1390 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 19523.1680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 18989.5559 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 11575.7405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 17919.0944 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 19785.3427 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 20383.2800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 20024.3243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 18998.4790 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 18506.7363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 18983.2672 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 18911.0494 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 19936.0790 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 13157.7222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 9760.9255 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 14209.6649 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 18665.6311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 19851.3942 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 19304.6911 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 19113.6982 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 18271.7219 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 19855.6541 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 18701.5471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 19063.3368 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 19590.1776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 18358.9607 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 20040.0201 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 18986.1997 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 17763.2852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 18454.7052 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 18402.9236 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 11202.8888 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 12941.9725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 17828.4452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 17557.1435 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 20075.5796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 19947.3882 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 19842.4373 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 19846.8371 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 19240.3401 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 20269.5556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 19456.9705 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 20597.5097 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 18032.8342 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 19171.4384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 18942.9414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 19999.7886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 19231.3492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 18603.0923 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 19698.8851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 19623.5800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 18312.7582 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 18821.3859 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 21477.6293 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 18095.7429 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 18941.8257 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 18288.3266 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 18159.0310 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 18740.8951 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 22278.2507 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 21389.0204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 20987.6308 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 18797.4483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 18046.6089 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 18140.1282 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 19920.6527 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 19316.6997 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 19075.5268 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 19828.1509 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 17351.3754 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 20013.6748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 19366.3863 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 18042.1150 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 19712.6752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 20396.7542 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 19677.1536 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 18994.9259 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 20068.0777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 20909.8998 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 18521.2443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 18940.7175 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 19658.6250 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 18681.3877 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 20628.0705 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 18579.8791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 18856.8765 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 18378.3001 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 17822.7532 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 18964.7521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 17281.6006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 19879.9387 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 17636.4993 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 18753.6961 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 18256.2384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 18075.7416 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 19789.9445 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 17861.8481 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 18302.3749 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 11031.1769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 14478.9875 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 14780.2046 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 17801.2737 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 17306.5138 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 17334.1841 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 19009.1606 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 18283.1382 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 17705.6037 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 18043.3330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 17982.1124 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 17707.0776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 18271.6599 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 18259.0161 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 18116.8471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 17954.1190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 17218.8475 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 19423.3637 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 19501.5270 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 19465.5049 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 19879.6428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 18930.4776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 18759.1602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 17981.0745 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 19313.6382 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 18966.1967 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 19063.6995 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 19367.1805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 19766.2701 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 20445.6482 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 20897.8151 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 21265.4495 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 19623.9681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 18756.6930 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 19397.1649 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 18743.3929 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 19001.5388 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 18419.1153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 20657.2854 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 10797.5059 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 12262.4502 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 21141.7337 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 19869.7606 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 18962.5869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 18612.5094 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 19740.7413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 17433.1508 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 13784.2322 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 19530.1118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 19153.9545 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 18990.8067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 19830.8101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 18780.2780 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 19398.1432 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 19173.1132 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 18077.6504 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 18227.1360 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 12907.2517 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 17075.1687 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 16557.0986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 21804.6197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 12748.0966 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 16789.5251 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 17249.1400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 17253.9918 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 19662.2081 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 18395.4468 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 17879.5698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 18605.6421 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 18712.7201 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 19327.1856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 16855.0585 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 20115.7946 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 19475.1844 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 18714.6071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 18133.6215 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 13366.8858 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 18244.0863 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 18380.5837 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 18711.5071 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 19157.0027 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 9826.6645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 7025.7471 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 7938.6013 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 11724.2286 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 14919.8452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 16367.4171 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 16995.4908 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 18196.0064 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 17765.4371 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 18295.9427 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 18102.9498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 18151.9216 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 15171.6247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 18423.5754 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 19118.1561 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 18394.8634 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 18340.1890 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 19008.3645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 18325.7072 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 17667.2823 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 18184.1602 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 18922.2088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 18375.5987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 19405.4949 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 19735.6424 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 17829.1478 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 18910.9934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 18576.8558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 18078.9195 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 17296.3501 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 17575.8947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 17814.2756 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 20024.5489 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 19123.8886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 18393.6122 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 18222.1828 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 10701.6311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 9960.0400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 14349.9136 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 16602.2959 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 17439.8493 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 21325.1092 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 18668.9017 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 20002.7293 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 19072.1384 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 19355.6065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 20533.4720 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 19690.0227 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 20179.1484 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 18796.4958 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 17899.4917 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 20509.2920 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 21099.3638 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 15752.1847 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 18668.8385 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 19928.3646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 19451.6050 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 19339.6311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 17722.2415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 19979.3974 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 19645.3057 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 22824.2459 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 18098.3556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 20556.7106 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 20636.8270 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 20360.9690 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 20921.6594 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 19052.6490 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 19913.4722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 21324.4617 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 21694.0785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 20272.5413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 20056.7199 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 22826.5258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 21603.2321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 16884.6007 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 18397.0510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 23292.1422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 20929.7808 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 18898.1467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 7226.7142 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 12923.3611 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 18312.7130 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 18047.3572 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 20797.4339 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 20121.9651 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 20631.7708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 19511.2339 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 18252.7988 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 19265.6070 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 18981.8237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 19100.9207 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 21048.6037 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 19270.5824 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 21750.2104 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 18849.1748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 18591.7458 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 18372.7455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 18273.9604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 18896.1377 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 18753.0279 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 17714.8857 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 17901.4550 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 19330.2116 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 19415.2422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 17634.6415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 18545.7067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 20196.7921 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 18285.4624 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 18094.3859 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 13411.4708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 18644.6478 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 18738.8606 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 19446.5556 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 19367.1449 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 19429.6048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 19664.1854 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 19851.2650 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 18999.2436 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 17919.1248 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 18053.7024 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 17397.0505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 17983.1628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 18529.0393 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 17787.4447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 18293.2003 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 18813.5190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 18653.1039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 18529.6585 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 18573.6415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 18700.8176 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 17907.4357 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 18393.5107 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 17701.8476 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 18755.1220 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 19007.7647 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 18541.7897 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 18707.5622 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 18747.3483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 17826.1032 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 18144.0014 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 17603.2186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 19319.9128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 18499.3950 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 18877.3395 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 19497.5347 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 18631.0238 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 18226.7994 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 16644.9762 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 17310.9403 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 17809.6643 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 17893.5448 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 18483.3248 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 18775.3646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 19053.4722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 14886.4616 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 17363.3748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 11832.7306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 16955.4381 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 17315.8688 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 16829.9561 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 18109.8646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 18634.4456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 19095.1704 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 17708.0344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 17000.5775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 18236.0128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 19105.3664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 20002.1830 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 19134.5401 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 19683.8660 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 19018.9974 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 17917.6158 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 16999.9947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 17619.6685 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 17718.0511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 17932.5459 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 19038.4905 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 19903.9464 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 18662.7379 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 18415.8264 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 19517.5957 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 18666.5330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 19890.9751 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 20346.7886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 19039.0337 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 10860.6009 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 19557.7998 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 18835.9667 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 20111.0089 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 19885.2523 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 17604.8453 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 18740.9680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 17802.4985 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 17929.0087 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 18744.2475 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 19175.5904 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 19349.9603 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 19147.8030 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 18412.8400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 17197.7081 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 18640.7439 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 11605.3428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 13550.0567 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 15422.6809 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 16140.4248 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 18559.8416 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 19133.3999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 19615.4024 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 19635.7814 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 18350.8223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 19269.4097 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 18236.2422 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 18249.9867 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 18572.8437 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 17450.1184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 18521.6739 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 18318.9088 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 18000.7093 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 11214.1413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 17255.9916 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 19079.1665 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 18029.4807 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 18564.1805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 15861.1820 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 19190.4744 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 19015.0269 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 20080.7153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 18281.1035 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 19672.9016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 18220.6991 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 19873.4703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 19875.8794 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 10207.2604 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 19681.5711 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 20496.6946 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 19543.8933 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 18995.4084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 18722.7697 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 19994.1741 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 18887.3836 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 19059.0466 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 18593.5656 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 11684.3230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 19230.6078 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 19883.8613 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 19414.5309 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 20185.5528 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 18652.0026 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 18365.5800 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 18483.1009 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 17052.0083 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 19548.3770 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 19078.2437 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 7724.9225 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 12864.2435 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 14952.5187 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 16766.3289 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 6361.0783 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 25905.7948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 18824.8117 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 26037.0731 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 20383.4492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 26014.8846 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 19080.9641 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 8990.6461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 19401.8038 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 19207.8650 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 18725.6553 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 19131.7364 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 17754.0101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 19684.0615 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 8967.4903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 18787.5405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 17992.9391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 19318.7580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 19150.2753 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 17998.3691 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 18811.8431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 17269.9881 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 19245.2791 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 8460.0391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 18758.5586 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 19821.7905 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 17942.1400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 18708.5082 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 17638.8090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 17954.8891 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 18578.1230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 17611.8108 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 17045.2184 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 19143.5574 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 18780.4014 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 19715.7106 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 18633.0372 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 18757.8952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 19038.4895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 19124.7913 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 18578.2629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 19090.6940 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 19013.2675 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 18822.0111 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 20173.8799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 17888.7493 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 9816.5643 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 17252.4455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 20595.4258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 18779.3364 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 19582.8175 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 18994.3480 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 19066.1642 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 18675.1502 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 6990.5672 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 17075.9840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 18424.2854 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 18098.6194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 19467.8069 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 18094.3392 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 17997.4786 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 18850.0061 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 17966.0320 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 19008.4154 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 18974.1130 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 17286.3389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 18485.4056 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 19194.2086 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 18111.6526 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 19209.0786 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 19236.8392 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 17995.7420 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 18108.4097 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 19639.9928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 19012.5343 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 18360.9638 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 19560.0002 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 18270.6948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 18255.4627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 19181.1216 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 18853.2385 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 17453.7511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 18166.4018 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 10625.4610 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 12981.3687 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 16012.3627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 16928.2231 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 18231.9506 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 18762.8792 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 19287.1074 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 17141.4994 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 19565.7915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 12996.5588 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 20000.2562 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 17955.8277 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 18996.0459 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 19386.5600 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 18027.6048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 17860.4288 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 20245.2186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 20692.1014 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 22804.2834 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 17541.1397 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 19748.9968 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 20637.1005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 18806.5045 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 21358.4505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 24238.5977 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 22037.3549 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 21548.7885 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 19601.4006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 21452.4664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 17808.4555 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 159.25s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.18 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 13939.2839 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 18312.7825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 22019.3149 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 22460.8187 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 23760.6517 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 26735.3445 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 13244.2784 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 24131.3186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 25011.2453 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 24800.6043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 14966.8117 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 23820.4520 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 24510.7045 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 23869.9290 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 23337.2272 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 24714.5363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 23637.3996 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 23243.2069 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 23657.9455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 25137.4018 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 23123.6634 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 13599.8744 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 22478.1024 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 22481.5937 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 23242.1891 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 21843.1180 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 21760.7067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 26617.8414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 21851.2696 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 22704.7131 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 22227.4028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 20883.3150 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 22872.1673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 22460.4016 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 22524.4703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 21643.5428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 12304.6659 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 11708.9443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 16309.7624 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 16764.7803 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 22292.9491 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 21949.4665 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 21868.8701 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 23406.7710 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 23547.0767 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 22669.5891 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 23221.7708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 21054.0271 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 22275.1063 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 23303.9986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 22745.9574 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 22389.7993 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 21997.5891 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 22587.1919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 23278.8195 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 23365.5478 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 23435.8869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 22673.6072 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 23266.8310 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 23494.9756 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 21995.7177 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 22553.4979 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 22999.5873 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 21821.5753 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 21577.8311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 23839.5447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 22043.0565 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 22940.9783 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 21135.5581 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 20732.9546 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 21379.2769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 21956.3299 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 21428.3278 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 22384.6310 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 21475.6247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 23687.0523 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 23294.6040 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 23323.3627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 22341.6677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 23129.9166 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 21938.2122 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 23311.5128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 22515.6391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 23606.2356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 22120.8840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 22934.7233 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 22542.6706 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 21529.1531 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 18933.2560 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 20168.2819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 21515.3379 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 21797.5718 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 21963.4294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 21838.6605 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 22281.8941 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 21439.4772 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 20289.0411 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 20791.7790 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 22036.2230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 19987.4808 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 22901.3279 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 22122.8838 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 22669.8600 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 21597.6396 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 16371.5237 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 22707.7228 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 23073.4999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 21056.2807 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 20488.8555 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 21069.4387 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 22281.7029 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 21812.7543 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 22203.3947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 22643.7136 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 21787.8020 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 11363.0067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 14890.5673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 17958.4058 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 19156.4923 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 18926.0777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 21537.5223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 21350.9697 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 22152.8223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 22256.0545 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 22631.8666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 23148.9837 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 23451.8043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 22980.2983 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 22374.6865 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 22528.6194 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 23079.8024 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 22549.9706 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 22515.1815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 24291.7617 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 22789.4661 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 23645.9090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 22891.8404 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 22679.6281 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 21893.3708 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 21729.4578 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 23220.2344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 22611.0521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 22196.7707 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 22815.3417 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 22126.2573 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 23279.4302 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 22470.6163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 22127.4070 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 22661.1354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 22861.0511 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 21938.8281 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 23119.1439 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 23082.7262 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 20973.9084 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 22152.2521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 21869.1262 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 21836.5586 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 22286.0569 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 21651.7443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 21275.9357 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 23068.6079 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 22988.6520 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 23280.5796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 22840.3413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 22419.3510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 22359.8311 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 22247.0953 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 21636.9524 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 22781.4342 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 21663.6323 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 22573.5176 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 21023.7351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 23125.2676 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 21251.4899 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 22628.9330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 22782.0662 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 21608.7955 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 16871.6694 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 18637.0934 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 20064.2115 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 21412.0481 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 21465.3411 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 22228.9450 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 21808.7134 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 21823.5887 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 22721.1336 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 23260.3519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 22342.5032 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 23119.1056 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 22379.2127 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 23238.2425 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 11149.0181 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 12053.5204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 15485.8145 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 17523.7659 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 20159.3873 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 21218.5882 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 21632.8100 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 22488.7962 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 21873.4900 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 23024.5089 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 21830.1483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 20977.5719 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 22154.6949 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 21886.3655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 22838.5856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 22632.8826 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 22441.5280 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 16968.8666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 23495.5003 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 21787.9638 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 22114.2978 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 22609.2267 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 21645.8915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 22867.8170 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 20867.1561 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 21736.6740 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 23703.1382 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 23147.2236 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 23159.0368 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 23649.8245 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 23087.2090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 22474.2503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 21539.3412 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 21467.4580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 22585.5533 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 21632.0692 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 22558.2197 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 22551.6206 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 22092.0431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 23362.4006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 22468.1762 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 22509.2539 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 23311.5675 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 22194.7795 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 22704.2684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 22346.9191 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 21752.3405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 22234.9655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 21905.3671 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 22056.6614 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 21030.6680 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 22678.1457 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 22486.4952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 22603.7111 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 22535.4598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 23088.3910 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 22816.8488 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 22997.3995 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 22612.9017 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 22654.4118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 23047.0041 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 22726.1117 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 22173.4065 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 22498.3107 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 22896.9897 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 23199.8734 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 22201.6669 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 23386.1300 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 21495.1454 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 21852.0544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 21112.4428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 22435.2722 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 23121.0928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 22604.7567 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 22475.9406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 20924.4321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 21818.3727 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 11341.1505 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 10738.5352 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 26053.8269 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 30898.3261 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 25375.1961 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 29181.3733 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 29196.5761 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 27666.9489 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 29130.3083 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 27038.3903 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 29149.2876 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 25523.2382 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 28850.9921 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 27055.6803 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 23339.7573 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 22829.7094 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 28380.5825 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 24403.4117 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 22346.1431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 26305.1347 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 33180.4822 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 30249.7345 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 27012.3488 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 30631.6005 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 27902.1324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 35218.1713 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 24393.5865 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 29031.2243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 32489.7085 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 25651.5752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 25949.0542 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 20412.7183 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 25728.1334 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 22005.1100 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 23991.3551 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 27588.6341 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 23589.8050 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 23850.7381 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 22429.1878 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 20990.5858 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 22850.7845 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 22178.9196 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 22999.6043 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 24819.6249 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 22762.4583 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 22913.7701 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 18119.5348 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 21415.0275 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 22525.8786 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 14258.4975 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 22322.8826 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 21454.8571 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 20586.0321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 19925.4970 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 21757.4586 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 21201.1628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 21430.7852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 22225.4066 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 21091.9103 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 21776.8108 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 23346.4070 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 23368.8340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 23706.0668 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 23000.8659 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 22820.2573 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 22757.7853 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 23295.9823 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 23843.7739 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 23543.0937 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 22504.9591 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 21445.4417 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 21231.2389 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 22514.8383 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 22367.4467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 22115.1518 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 11254.6785 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 10460.0548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 13986.0365 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 18834.7580 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 19046.2651 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 19686.5247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 21456.7214 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 22795.9653 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 21710.7342 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 21893.8431 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 20004.1463 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 22086.2467 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 22603.3568 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 21596.4136 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 21577.1229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 21072.4955 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 22367.8603 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 22250.2074 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 21989.5157 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 22614.4741 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 21158.3145 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 22831.8906 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 21190.3008 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 20300.8109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 21400.9789 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 21834.4935 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 22591.7256 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 22846.8479 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 22778.2651 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 21917.0483 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 22588.1094 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 23378.4540 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 22378.6928 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 21389.7684 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 20667.5750 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 22588.6957 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 22090.7959 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 22093.8453 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 22989.8287 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 23448.1814 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 23160.1321 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 21920.6048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 23414.9362 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 21907.7295 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 21955.7001 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 22442.0490 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 23400.4023 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 22634.0815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 21847.6325 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 22048.6917 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 22323.8202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 21923.2628 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 22209.6391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 21026.1920 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 23333.4263 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 23164.7521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 21853.2128 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 23650.9215 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 22709.0324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 22665.8796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 21835.3603 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 21983.9391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 21665.9497 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 21506.4316 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 22667.0761 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 21356.0186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 21876.2343 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 22339.0690 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 21981.2368 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 22503.6574 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 22162.4664 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 21574.8624 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 19569.3494 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 20627.6399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 22223.7733 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 21844.8958 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 20959.5920 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 11113.0491 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 9051.7584 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 12683.0482 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 14211.3931 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 18024.0324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 20468.5558 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 21523.6394 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 21245.9713 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 22374.3263 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 21634.2292 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 21217.1048 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 22090.4447 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 21902.2804 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 21249.5173 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 21378.4303 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 21504.2041 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 22377.1625 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 22248.2455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 21958.4324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 21891.0157 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 22069.2430 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 18148.0204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 19207.0677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 17353.8135 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 21151.2183 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 20446.3497 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 21150.9837 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 21020.2715 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 21041.3801 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 21059.6833 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 21532.9943 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 20030.1799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 19524.3594 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 19116.7224 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 20012.9363 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 20965.6222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 20800.3031 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 20861.5787 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 21796.4744 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 21590.4761 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 21279.3452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 20985.5428 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 19990.5598 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 20443.8444 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 21317.8709 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 22374.6376 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 20967.8215 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 20882.9597 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 20542.9354 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 20462.8831 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 20513.0955 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 21085.5007 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 21204.9768 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 21993.8657 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 21845.6240 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 23505.8729 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 21888.4210 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 22854.2819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 22995.4816 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 21114.4510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 20428.4456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 15552.8655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 20322.1244 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 22481.1725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 23024.8844 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 24022.4441 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 23231.8799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 22458.1080 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 21717.5410 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 19861.6039 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 21833.7840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 22267.2278 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 22776.2497 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 21840.2212 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 22987.4210 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 11607.3987 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 5670.2346 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 18055.3253 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 20048.2769 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 21585.2986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 20877.7701 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 21771.7695 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 21847.7775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 22033.8226 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 20384.2298 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 22236.7018 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 20633.7138 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 20793.3061 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 22499.9434 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 22963.9802 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 22560.1856 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 21550.7805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 22049.9668 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 22809.2998 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 23032.1475 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 22417.7681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 22243.5461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 22743.2252 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 22520.3012 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 22485.1122 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 21971.9144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 21478.4692 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 22278.1399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 21891.1522 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 22623.6372 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 21515.6255 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 21335.0652 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 21484.3566 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 22728.4052 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 22690.6519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 22840.8179 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 22391.9093 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 22336.3646 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 22496.8144 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 21469.0784 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 22426.2312 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 22691.4811 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 21653.7509 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 21585.3971 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 21919.1985 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 22011.5666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 14990.9403 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 22415.5318 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 22294.9936 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 22947.7633 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 20050.3110 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 21791.7676 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 22173.2079 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 22731.6276 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 23319.8665 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 22443.0491 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 23064.1588 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 23283.4666 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 26071.1209 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 28511.2796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 30432.5619 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 28178.8736 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 30342.5847 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 22137.5109 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 23070.1707 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 24348.9725 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 24046.3489 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 25677.3984 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 26441.5712 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 25208.4886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 23161.2608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 25337.1737 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 23736.3577 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 23696.9790 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 22225.9645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 21980.7090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 23543.0737 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 11209.0278 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 11334.7637 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 14502.0401 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 19763.4441 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 21730.3004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 23120.7426 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 22298.7554 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 22701.3145 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 23307.4629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 22447.2121 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 17914.8740 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 19088.4492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 21191.1185 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 22076.7658 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 22698.5350 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 23499.3333 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 23241.6330 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 22402.4377 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 22964.0926 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 22980.8306 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 20633.4569 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 22130.1886 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 22104.9852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 22358.1562 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 23000.5259 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 21808.7819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 15574.6846 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 21344.5805 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 22569.1770 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 22344.3979 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 21405.0241 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 21961.6009 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 21666.5446 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 22160.5910 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 21455.8230 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 15398.3512 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 20703.2939 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 21139.1698 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 20967.5201 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 21400.7529 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 22099.9951 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 21891.4801 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 21280.3482 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 21792.9709 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 23093.9932 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 22161.5503 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 22393.5627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 21810.6986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 21995.2011 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 22680.8861 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 23224.9999 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 22681.7275 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 23269.5028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 23022.6383 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 22762.1486 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 22837.4490 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 23689.2935 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 20589.9777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 21236.7676 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 21685.2852 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 21788.1217 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 21244.4801 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 22794.9409 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 22088.0774 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 22155.2452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 21363.4106 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 21386.4456 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 21210.5146 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 22609.0866 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 22776.8060 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 22284.7345 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 22294.9938 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 22879.8673 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 22533.3137 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 22829.4964 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 11387.8409 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 11183.9030 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 13147.2880 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 18857.7870 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 19308.6004 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 18576.2219 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 21223.1988 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 21329.6919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 21647.3872 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 21222.3264 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 22135.1681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 21284.6438 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 22852.3429 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 21752.5775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 22430.1190 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 22771.2922 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 22565.5979 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 21656.7108 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 22132.3947 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 22745.3041 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 21378.5707 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 21997.7116 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 21816.8681 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 21826.2835 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 22046.3512 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 21750.5443 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 21377.0202 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 21953.4258 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 21251.8777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 16787.5851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 22073.8555 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 21847.9578 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 21504.4492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 21770.0243 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 21801.8731 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 22487.8464 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 21641.3042 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 22458.1887 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 22015.4728 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 21840.6367 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 18540.3748 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 17423.1507 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 17326.6429 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 16966.4246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 22398.5096 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 19233.8898 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 22902.2069 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 23113.1076 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 22481.4629 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 21785.6867 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 22692.1989 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 22522.8028 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 22558.0919 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 22115.0617 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 20646.8307 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 21958.2019 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 22213.5950 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 22023.2344 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 21753.4396 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 22829.1853 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 22673.5816 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 21835.8400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 22241.1199 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 21863.9054 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 22467.0000 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 22178.0765 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 21969.7057 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 22357.9193 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 22838.2245 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 21100.7036 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 22469.5953 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 22125.4797 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 20021.3388 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 22180.5498 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 22133.1192 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 15371.9915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 20997.7521 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 11364.2851 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 12179.0450 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 13884.5056 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 16156.4296 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 18986.5840 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 20785.3222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 23214.4343 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 22921.8458 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 22140.8819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 23168.9811 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 22554.5341 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 21702.7627 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 19691.7161 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 22308.8613 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 21552.8612 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 22417.7229 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 22501.4564 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 23050.1466 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 22896.4222 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 23348.9189 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 22330.3066 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 23306.3425 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 23087.0405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 22703.9545 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 22006.3399 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 22080.1153 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 22384.1406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 15834.0247 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 16618.6846 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 23173.2101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 23310.9246 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 22258.2881 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 23033.2152 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 22843.0178 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 23423.5063 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 22162.5470 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 21892.4796 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 23066.8025 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 22162.2297 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 22849.6550 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 21926.0022 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 22111.9335 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 22558.1101 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 22697.7777 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 22154.9319 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 21617.6294 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 23254.0406 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 21732.5405 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 22753.4266 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 20911.5478 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 21284.7677 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 22111.2328 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 21698.4186 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 20801.6874 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 23306.0608 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 22449.8415 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 14667.7011 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 13822.2095 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 19709.6799 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 21010.3667 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 21423.9148 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 22808.0547 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 23313.8944 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 22875.9861 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 21824.5783 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 21668.7864 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 22714.8017 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 23014.6594 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 22847.8324 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 22284.2280 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 22140.7320 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 23707.2965 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 22719.6952 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 21437.9308 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 22199.6351 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 11250.3874 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 13021.2455 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 14929.1819 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 15755.3827 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 18664.7158 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 19533.5150 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 20722.4215 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 21379.2532 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 20694.6152 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 22952.1948 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 25029.2059 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 26928.9933 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 20658.5576 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 21754.0519 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 21648.9414 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 21814.7346 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 22885.9658 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 22484.1510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 22631.7510 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 22411.5492 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 22153.1577 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 21964.3267 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 22052.0423 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 22034.9313 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 22288.4400 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 22859.3544 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 21887.8264 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 23117.5715 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 22341.8440 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 21432.1385 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 22481.7766 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 21993.0287 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 15922.4984 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 17647.8356 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 18580.6776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 18853.2057 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 22481.4035 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 22610.9775 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 21835.9452 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 22296.4185 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 21743.1877 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 21818.5130 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 21164.7792 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 21963.2729 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 26682.7006 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 20604.6203 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 22362.8276 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 23127.4922 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 22899.6726 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 22468.9645 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 23017.1855 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 22923.2340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 23024.8417 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 22463.4180 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 21956.0695 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 21798.0301 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 22440.7869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 22602.3688 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 22556.1849 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 23108.8326 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 21770.7702 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 23371.5752 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 22365.8204 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 23462.2273 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 22306.4067 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 12573.1068 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 22777.4895 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 23019.4199 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 15742.0595 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 18638.2223 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 19707.1234 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 21382.3804 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 20596.4639 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 21437.0232 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 21839.6915 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 22646.2114 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 21080.2461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 11299.4518 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 10979.1703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 10170.2118 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 16430.5703 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 21786.3391 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 21429.4280 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 21750.3914 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 21986.3665 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 21135.4609 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 22058.4941 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 21599.7907 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 18280.0865 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 21083.4151 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 21214.8826 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 21662.3461 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 20737.2548 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 20964.2460 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 20417.3815 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 22462.5869 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 21233.8655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 191.32s (includes QPU queue + RTT) -[H2O] Time/iter: 0.21 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=1 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 7422.3776 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 6025.5250 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 9332.8198 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 9678.9353 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 10676.8090 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 9978.3383 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 11796.0781 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 11514.1340 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 11346.2986 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 11417.1413 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=1 T_total=1.1393 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=1, molecule=H2) -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.034744 | Delta: inf | M: 6936.2163 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0002 | Energy: -0.035159 | Delta: 4.15e-04 | M: 7439.5350 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0003 | Energy: -0.045020 | Delta: 9.86e-03 | M: 8075.2718 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0004 | Energy: -0.051772 | Delta: 6.75e-03 | M: 7800.8468 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0005 | Energy: -0.048332 | Delta: 3.44e-03 | M: 7671.2531 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.051608 | Delta: 3.28e-03 | M: 7539.5530 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0007 | Energy: -0.073611 | Delta: 2.20e-02 | M: 8064.5655 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0008 | Energy: -0.066337 | Delta: 7.27e-03 | M: 8069.6642 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0009 | Energy: -0.069598 | Delta: 3.26e-03 | M: 8205.5803 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -Iter 0010 | Energy: -0.070958 | Delta: 1.36e-03 | M: 8307.8398 | Path: GPU-cuStateVec MPI-distributed (1 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=1 mol=H2 terms=15 terms/rank=15 T_total=0.7353 T/iter=0.0735 final_E=-0.070958 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 1 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 15.65 0.0783 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 91.34 0.1189 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 159.25 0.1777 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 191.32 0.2135 -[Results] Saved to results/simulator/simulator_20260416_234018.json -[ 466.00s] Log closed diff --git a/results_hpc/slurm/vqe-scale-P2_2557.log b/results_hpc/slurm/vqe-scale-P2_2557.log deleted file mode 100644 index d783803..0000000 --- a/results_hpc/slurm/vqe-scale-P2_2557.log +++ /dev/null @@ -1,3517 +0,0 @@ -=== Slurm VQE GPU job === -Host: haskell -Job ID: 2557 -GPU: 0 -MPI ranks: 2 -Thu Apr 16 23:40:30 2026 -+-----------------------------------------------------------------------------------------+ -| NVIDIA-SMI 580.126.09 Driver Version: 580.126.09 CUDA Version: 13.0 | -+-----------------------------------------+------------------------+----------------------+ -| GPU Name Persistence-M | Bus-Id Disp.A | Volatile Uncorr. ECC | -| Fan Temp Perf Pwr:Usage/Cap | Memory-Usage | GPU-Util Compute M. | -| | | MIG M. | -|=========================================+========================+======================| -| 0 NVIDIA RTX 6000 Ada Gene... On | 00000000:11:00.0 On | Off | -| 30% 28C P8 25W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ -| 1 NVIDIA RTX 6000 Ada Gene... On | 00000000:61:00.0 Off | Off | -| 30% 25C P8 25W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ - -+-----------------------------------------------------------------------------------------+ -| Processes: | -| GPU GI CI PID Type Process name GPU Memory | -| ID ID Usage | -|=========================================================================================| -| No running processes found | -+-----------------------------------------------------------------------------------------+ -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) available -[Stack] Initialized 2 MPI rank(s), GPU=enabled, SV_backend=GPU (cuStateVec), backend='simulator' - - ---- RUNNING CHEMISTRY TASK H2 --- -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036757 | Delta: inf | M: 322.7606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.034346 | Delta: 2.41e-03 | M: 42.3199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.041786 | Delta: 7.44e-03 | M: 42.1884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.022947 | Delta: 1.88e-02 | M: 119.2353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.039845 | Delta: 1.69e-02 | M: 407.4994 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.032940 | Delta: 6.91e-03 | M: 114.6834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.038593 | Delta: 5.65e-03 | M: 297.7557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.034324 | Delta: 4.27e-03 | M: 129.0139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.038720 | Delta: 4.40e-03 | M: 207.3221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.038716 | Delta: 4.22e-06 | M: 133.1660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.041388 | Delta: 2.67e-03 | M: 69.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.039931 | Delta: 1.46e-03 | M: 109.3390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.046354 | Delta: 6.42e-03 | M: 2925.0080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 2745.5410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 12.3365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 32.4586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 28.7712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 41.3773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 39.5162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 35.0221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 37.4847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 30.0699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 0.8351 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 3802.9801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 20.9396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 36.4345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 53.5607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 34.6084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 39.1453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 42.1480 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 36.4115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 51.7004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 43.1160 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 54.5417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 53.3762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 43.5117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 37.8348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 53.4020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 71.4036 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 42.4658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 49.4439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 45.5836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 45.5247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 46.7053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 37.5128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 35.8853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 44.1474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 53.4523 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 37.2940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 41.9626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 41.7416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 42.5749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 38.5166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 38.8522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 55.3087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 34.7227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 33.4354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 31.6111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 44.4105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 42.4225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 41.0051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 47.4052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 39.0101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 48.5898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 39.1666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 44.7023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 49.5757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 45.5701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 39.2807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 44.4404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 39.8548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 36.1268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 38.6139 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 50.0665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 69.1358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 50.0949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 39.1896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 57.8812 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 279.4806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 229.9000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 222.6661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 336.4312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 232.8163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 356.8877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 252.2273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 3774.7927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 3740.2130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 3810.8613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 339.5625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 3386.9467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 342.4611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 361.2167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 468.3801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 3774.1006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 3797.4375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 501.7986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 3928.5892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 228.3724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 467.0832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 476.6713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 3859.7166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 3980.0226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 3830.5546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 3858.0292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 3776.1354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 3857.9963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 3640.5052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 104.6018 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 124.0986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 172.5342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 88.3462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 57.5866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 78.5297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 71.2825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 61.0292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 104.9415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 86.0630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 69.5093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 70.1300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 176.3665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 87.9972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 109.5423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 65.6659 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 107.7447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 100.5699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 156.2979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 167.5920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 14.7214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 2281.6113 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 86.6733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 81.9622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 109.6551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 82.7457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 171.7093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 85.1758 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 112.3902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 82.4934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 143.9010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 111.7305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 121.9295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 146.9421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 79.2769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 100.7146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 60.7889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 72.3852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 66.4848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 69.7159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 45.5663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 38.9099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 40.0526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 40.1410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 36.7216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 43.7483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 61.4107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 68.3313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 70.5703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 57.5804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 51.7242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 33.3239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 39.5853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 33.3728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 36.4528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 0.6979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 3380.1316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 43.6626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 58.5010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 4441.5791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 17.5387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 38.9299 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 33.6033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 41.1281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 56.1274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 61.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 117.2539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 106.3307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 182.6643 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 98.7864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 80.0531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 53.6214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 56.8531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 45.1697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 60.3045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 44.6172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 55.8760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 34.4050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 53.7820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 51.9642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 43.7292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 39.6937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 49.5585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 52.3230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 47.4214 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 34.7267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 47.6271 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 60.4753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 52.0791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 62.5042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 47.6417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 93.7765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 77.8323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 15.68s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 0.2961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 151.8051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 129.9224 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 111.8508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 83.3595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 139.5364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 104.4321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 138.6095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 160.1686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 157.7497 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 169.7875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 140.0819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 134.8539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 4892.8847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 136.4073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 188.2895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 175.1684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 159.8157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 5001.0821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 149.7254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 140.9868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 136.3989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 123.6950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 134.1674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 2915.4305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 94.7277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 67.5060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 67.7927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 65.6014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 96.6748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 12.8419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 53.2124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 51.0073 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 57.3563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 63.7106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 69.4857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 88.0177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 67.6439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 73.9684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 79.1642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 45.1250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 59.5872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 63.8332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 65.9409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 59.9457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 64.0465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 62.2473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 70.7837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 87.3883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 56.7567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 55.1168 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 63.8359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 72.7040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 67.3665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 52.0329 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 48.1221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 56.4783 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 39.0057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 56.2053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 65.4878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 47.0052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 50.8706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 58.6557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 53.2886 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 126.8527 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 47.8848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 60.6041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 61.1313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 63.5277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 34.4080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 46.2793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 49.1797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 49.0473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 47.2834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 52.2009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 41.2090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 80.0825 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 138.5099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 72.0320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 104.4055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 67.5999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 136.3523 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 0.9483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 4798.2802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 64.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 44.5575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 32.8166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 70.2445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 50.8295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 4690.4521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 25.1786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 53.4128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 55.4081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 62.7183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 80.8855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 49.5582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 60.1764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 54.7520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 71.2977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 63.0784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 68.5154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 64.4208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 59.8178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 41.8450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 224.0818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 89.0805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 81.0428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 84.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 140.4852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 86.0202 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 103.4983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 102.9819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 80.4645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 94.8000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 118.4424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 99.2504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 97.6529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 14.0775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 141.5121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 68.1510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 103.6764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 101.6137 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 103.5444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 125.2701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 7337.2140 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 71.9752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 73.7076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 119.9264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 121.0848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 122.7059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 137.8775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 143.0867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 105.6212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 91.5213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 110.7145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 73.4469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 81.0833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 104.6257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 127.0457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 99.1004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 82.2205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 115.3710 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 87.7540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 52.6567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 67.4929 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 61.1251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 65.1906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 77.9476 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 74.7453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 75.9006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 85.7015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 2895.3644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 110.5767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 67.0500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 51.6890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 50.4579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 65.8801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 85.2153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 72.9967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 69.2503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 74.4373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 88.2367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 79.1842 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 80.2696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 61.8862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 49.1940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 79.7324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 60.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 62.6481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 48.7483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 71.7749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 135.3498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 138.0421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 159.0494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 113.4937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 124.6653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 124.6499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 5027.6306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 123.9007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 5022.4713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 109.6417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 4920.3303 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 4867.7150 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 156.2553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 165.8900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 4857.0977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 4960.3822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 4721.8539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 146.7797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 4870.3007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 5020.2600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 5073.6090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 125.1875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 5171.0699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 120.0108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 4976.2706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 5010.9298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 127.0198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 4407.8533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 4865.4638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 119.2293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 4881.5752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 103.3568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 148.5898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 4984.3587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 169.5114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 178.6276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 113.3875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 148.0884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 119.3519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 165.2388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 186.6450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 172.5681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 114.1651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 130.6464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 124.6441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 135.7074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 175.1323 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 127.7343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 200.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 132.6588 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 140.1514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 0.9141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 4569.5688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 139.3237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 147.4004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 85.1203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 83.7207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 96.3474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 85.3592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 175.1906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 88.7173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 5476.0011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 44.5199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 93.1736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 82.0079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 127.3177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 173.2635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 188.7798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 160.7164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 166.6892 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 167.1017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 5037.2933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 4909.7482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 4433.5367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 145.2082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 148.7369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 187.8028 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 4981.5920 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 5039.4888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 151.3849 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 4672.8195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 148.2803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 4819.5167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 4848.6889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 126.7935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 143.1007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 125.2151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 145.4049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 124.7250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 4553.8824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 125.8117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 144.3613 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 138.2897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 122.3505 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 116.9185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 124.6312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 111.6552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 74.2674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 109.9478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 124.0426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 128.6236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 72.9568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 80.4075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 105.5308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 67.8441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 69.8375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 75.8344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 101.7673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 84.5258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 54.3326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 71.8966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 86.4136 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 141.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 170.0883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 104.1883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 141.6969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 113.6889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 164.5661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 160.0187 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 169.7949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 136.5654 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 151.7282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 136.1636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 135.8363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 137.8438 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 4763.4385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 142.6921 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 62.0234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 50.5315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 49.5844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 41.3072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 56.3983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 51.6633 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 42.9570 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 43.2205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 36.1703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 42.1191 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 47.3791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 45.0785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 42.3327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 50.2550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 41.0808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 47.5793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 53.8631 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 51.5724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 48.0956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 47.2215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 42.5538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 47.4513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 40.8247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 42.1874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 48.3149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 44.3601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 47.7012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 40.7697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 37.9344 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 46.0422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 42.3674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 46.1179 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 54.5097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 63.4181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 78.3847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 47.7495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 54.0948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 45.1453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 35.2076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 40.4680 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 48.0660 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 60.2667 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 107.3699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 134.6222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 144.8447 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 84.4235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 98.7831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 71.3799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 4833.6003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 83.5948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 117.7216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 193.5483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 147.0908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 4864.1205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 122.0434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 97.5665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 78.2401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 85.4827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 74.8270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 66.2409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 48.1641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 85.3288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 79.0245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 125.5472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 0.9989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 4610.6899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 80.4478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 70.7513 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 71.3082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 70.8254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 63.4928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 80.4180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 91.7866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 62.7032 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 75.1529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 90.3287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 147.9775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 5741.6215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 54.0675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 84.0508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 84.0644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 4954.2441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 97.8753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 69.2481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 62.1848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 70.2002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 62.1648 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 78.7895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 98.8883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 65.4453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 71.8423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 57.2576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 104.9213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 87.4324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 94.8077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 168.1559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 141.4936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 82.2052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 93.3409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 114.8853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 77.1506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 64.4836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 133.6562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 79.4795 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 149.8361 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 132.1431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 159.4038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 138.6496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 4744.7382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 107.8540 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 184.8948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 135.0157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 70.7987 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 93.9208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 87.5000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 57.9464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 128.3010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 137.9252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 4943.9472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 83.8053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 93.5863 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 130.1891 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 149.6460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 128.3388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 153.7771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 4790.5156 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 159.6148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 175.1063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 177.4632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 4970.4956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 76.6630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 4516.4101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 130.2778 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 98.0652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 143.1725 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 4856.0585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 122.7199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 142.3397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 135.1890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 4934.3604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 140.5460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 4786.2482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 131.3873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 128.7192 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 117.1473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 150.2124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 156.4250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 124.5602 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 5040.6247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 135.1207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 108.6207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 158.1495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 120.7656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 165.6355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 5038.6342 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 130.7000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 155.7663 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 122.7722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 171.7538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 158.0336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 4884.6693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 155.3512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 4813.5908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 5024.6600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 145.6021 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 174.4843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 62.8952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 64.3385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 65.4608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 70.9968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 62.3791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 111.3003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 65.3703 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 82.5074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 102.5097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 99.6276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 90.9970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 72.8711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 76.6642 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 61.7616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 88.2011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 126.1204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 143.9064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 125.6470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 97.8657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 136.2955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 97.3528 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 90.1229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 132.9951 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 129.6167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 74.8387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 113.5273 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 74.0907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 85.3007 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 4916.2604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 5048.5914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 4884.9264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 164.1754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 4943.8337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 4944.5982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 123.3787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 165.3169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 124.6460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 152.9064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 1.0900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 161.6509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 69.9747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 97.2752 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 70.9077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 44.7301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 70.0247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 90.4300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 91.2412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 65.9560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 77.9959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 93.4098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 59.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 58.6459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 82.0387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 65.8768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 5041.7998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 34.3865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 83.3947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 82.5269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 136.4433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 129.1023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 76.0009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 142.6491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 154.4148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 100.7039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 101.0986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 82.5773 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 77.5109 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 165.0532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 158.0460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 187.5922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 134.6218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 227.4246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 4830.2199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 4951.2729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 196.1274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 153.7218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 4541.5541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 120.7560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 109.3677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 163.2815 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 146.0060 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 4865.3618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 4796.0205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 115.0701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 4989.2997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 4922.5310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 155.7582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 4877.8407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 4925.5345 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 142.8460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 165.5280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 66.5394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 95.4095 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 72.1763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 65.0622 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 58.9954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 49.7534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 80.8501 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 55.5485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 68.7913 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 57.8941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 50.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 68.7931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 53.8942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 66.7436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 70.0433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 69.4059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 45.7057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 80.4260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 63.4597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 53.6819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 60.9090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 96.0384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 85.9916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 65.1262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 77.9449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 52.7388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 66.0662 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 138.7958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 155.2867 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 128.1407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 109.6178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 97.7753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 81.8684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 68.4593 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 97.2813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 86.9971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 73.0878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 56.4006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 72.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 81.3821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 82.6483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 37.4970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 79.1377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 97.0499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 133.3040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 140.2749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 106.3896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 142.0796 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 90.3147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 101.9360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 154.7930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 97.8651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 131.6287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 126.7154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 124.4905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 136.5357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 95.4828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 107.5666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 97.3488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 133.4281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 167.4201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 121.8288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 75.4563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 117.8193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 111.6488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 111.2606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 231.9492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 101.8655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 74.4312 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 95.7014 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 100.9809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 123.0542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 88.1634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 71.7555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 92.1174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 141.1204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 86.5384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 76.2099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 72.6993 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 74.3715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 84.7491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 133.5669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 91.1975 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 158.3038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 134.3005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 121.7611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 81.0691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 1.0768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 4314.8670 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 109.5143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 95.8568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 54.7131 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 77.9228 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 139.0435 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 92.2537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 131.2413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 65.9763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 59.9193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 68.6446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 48.8364 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 73.1968 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 160.2810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 148.2358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 111.2835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 154.6201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 131.6295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 4241.0172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 35.3547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 85.3999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 115.1245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 100.4151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 74.0954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 116.8215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 59.8157 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 95.1675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 152.8383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 149.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 134.0914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 4939.3025 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 4806.2238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 4739.0859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 4973.2166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 141.7358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 152.9013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 166.9664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 193.9375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 155.9169 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 4672.6206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 164.2567 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 4841.5064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 5050.7641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 139.6673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 141.5761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 4943.8128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 159.8242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 4795.8768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 177.2730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 194.0684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 4704.4243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 162.5761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 156.0331 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 74.6240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 96.1457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 89.1125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 78.7443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 85.9384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 188.3294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 173.0933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 5160.4119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 149.7322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 4842.0195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 84.3319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 94.4766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 66.0675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 139.1185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 122.2399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 92.9899 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 87.6771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 175.4521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 108.8055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 75.2888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 63.6186 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 63.0270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 84.9071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 70.7922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 50.7674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 93.1380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 51.8696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 85.5269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 81.2254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 74.4808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 69.0441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 90.9963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 126.2181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 13.9510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 7.9144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 5.6514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 25.8946 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 36.5410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 6793.5789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 6302.5044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 5887.9789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 5965.8038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 6.2953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 5933.6677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 6599.0851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 106.5857 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 117.9403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 96.2051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 100.4779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 94.2141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 123.0972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 118.5941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 135.6678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 104.8383 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 62.4167 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 101.7078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 100.3952 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 91.5713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 58.9079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 122.9515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 84.4661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 78.9990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 123.8439 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 93.7272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 113.6720 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 73.5669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 110.4834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 80.2066 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 65.9391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 77.3949 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 133.4254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 90.3122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 79.22s (includes QPU queue + RTT) -[LiH] Time/iter: 0.10 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 1.8352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 7626.2746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 75.6510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 233.8701 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 9784.5799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 8161.9518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 7501.1623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 7201.1571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 5810.2311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 6037.7604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 8677.8621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 7751.8059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 9478.1779 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 9931.1594 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 8644.4870 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 8932.6308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 9777.1078 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 9022.4869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 7564.4694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 7518.1020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 8029.2110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 9530.7689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 8883.9814 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 8076.7716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 7326.1242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 8999.5722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 7483.9122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 8344.6254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 7659.4090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 67.2551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 8126.4337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 7981.1233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 7222.8693 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 9711.8286 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 9999.4762 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 7739.8082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 108.1401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 7950.8292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 6905.4664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 3.3831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 7709.9675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 58.9544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 7889.2526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 3.9640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 222.1055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 7999.5856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 8232.7989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 7935.0093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 7716.1503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 7836.2031 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 6748.2775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 1.8903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 6537.0653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 9011.7360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 1.3711 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 6699.3531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 7484.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 8691.6576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 7699.8793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 8681.3040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 7775.9174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 6994.3068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 6932.1699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 7926.5880 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 8355.4068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 8581.0954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 44.0486 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 8187.0262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 7966.0440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 7838.0062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 8758.9196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 7860.9212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 7553.9735 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 7815.6887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 7498.8821 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 175.8216 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 8250.2575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 7883.2787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 106.8458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 8060.3425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 8211.9315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 8087.0855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 217.6429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 7722.5764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 10214.5239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 8005.2665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 40.2166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 7955.7093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 7897.3399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 68.7119 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 5832.9604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 7971.1963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 4.1217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 6615.9755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 7718.3836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 9857.6511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 8005.5694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 7788.5687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 7982.9536 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 7918.1269 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 8956.8155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 1.9134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 6896.9851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 7646.4650 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 9136.4301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 8433.9251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 8235.9159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 1.8961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 6609.9985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 7533.0068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 7229.3125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 57.6551 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 8249.6213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 7799.3201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 6600.1328 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 7385.8446 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 7415.2930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 7846.9499 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 7596.9959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 7877.8325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 8167.4470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 233.2255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 7800.7898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 8104.0013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 8081.9979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 9132.9462 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 7579.1244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 9739.5403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 7219.9529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 155.2627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 8193.8728 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 7473.1315 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 9532.9767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 7686.9732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 9264.0402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 7733.2420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 1.8291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 6425.2566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 8044.6190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 9287.9143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 7957.5654 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 7703.2421 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 7372.6441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 8164.1617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 8479.6908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 7828.2962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 8793.3799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 7904.9508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 7352.2860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 5.7161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 9129.9923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 7656.7970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 468.6012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 9308.4925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 7531.6227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 9381.8637 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 7491.0861 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 7326.4453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 8212.0673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 107.8677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 1.8492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 6154.5651 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 3.3697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 8595.0226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 7424.9206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 8241.2576 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 7398.3730 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 6678.3483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 6504.9617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 1.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 8069.4041 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 7366.1638 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 7551.5748 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 7278.0372 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 7812.7016 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 8193.4800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 7195.9723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 7638.5715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 69.1037 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 7704.2454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 7894.2547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 7787.5096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 6173.0747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 6832.0407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 7150.3105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 7801.2604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 7518.1614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 7592.8030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 230.6516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 111.3903 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 8549.5852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 7363.0852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 7330.7149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 5982.8401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 7420.3564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 8759.5554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 7590.8035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 8026.2853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 72.1277 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 9715.1200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 8237.8112 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 9293.4564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 9601.7615 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 7883.6004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 7740.9984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 8409.3450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 3.0319 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 6836.4872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 2.9629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 7044.5179 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 8083.4843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 9132.5724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 8818.6763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 1.9204 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 6592.1144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 14.0330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 8097.5240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 7501.5184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 7986.1675 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 151.1289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 5779.0246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 6754.6928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 9101.5676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 7539.8755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 7588.4240 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 7019.6634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 7692.7706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 7921.3468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 7106.4201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 8032.2058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 8915.3664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 9499.1969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 8.0478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 7634.7410 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 9664.3969 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 7874.3636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 7382.1367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 7558.9962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 7413.4211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 7968.0301 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 7261.1628 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 7625.0362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 40.9958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 7860.8211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 7625.7555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 8204.3042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 8369.7502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 8096.1661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 7741.1348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 7541.4097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 9569.8009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 10075.7042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 7329.5333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 7530.7997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 8407.9853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 8421.9940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 7624.3808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 8834.6308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 7521.9400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 8258.8207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 7805.0970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 7872.0829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 8109.6984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 7170.9193 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 7962.4831 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 8692.2458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 1.8973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 6701.5776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 9761.5384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 7558.2223 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 8520.9595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 9403.7919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 7718.2574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 6693.8368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 6206.1417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 8407.5485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 9445.1102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 7467.7428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 7167.9992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 7462.3205 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 8201.0767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 9610.9020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 7977.0681 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 8112.5514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 9087.9916 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 8179.6458 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 7334.0545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 3.3348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 7459.8597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 7587.7618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 7586.6468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 7758.5781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 7703.8979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 9685.0550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 7566.4904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 7995.1716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 5.5739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 9669.5215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 8403.9262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 7859.8813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 7627.1443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 10044.3220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 8230.5106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 8539.7597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 45.4235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 8218.4712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 7595.8062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 9800.2322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 7924.8780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 7377.6784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 8174.9512 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 801.5153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 7717.2948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 10230.4219 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 7402.9691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 7738.1491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 7270.5468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 8024.5938 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 188.2009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 1.2518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 6460.0890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 7518.3473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 8852.9866 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 104.4247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 8431.3370 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 7630.9093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 6934.8829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 6318.8308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 7146.2436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 7732.8563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 8105.8687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 8101.6325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 7631.8542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 7312.7970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 7076.9259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 8222.1029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 7485.7511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 8870.0332 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 7850.6190 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 7441.1511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 63.7126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 7865.2606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 25.2557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 7842.3357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 9824.6367 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 8007.4411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 7742.3890 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 9023.4142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 6966.8125 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 8102.4839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 8739.8756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 8518.4475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 7950.3707 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 86.4813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 7688.9343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 9902.2548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 7375.7206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 7718.0250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 7838.4380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 7948.5448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 7431.5558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 9478.1596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 7858.8734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 7574.2958 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 8796.3917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 7326.3582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 8049.6741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 8378.7450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 7223.4485 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 8046.3809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 8318.8978 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 9995.0636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 1.9553 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 6644.1425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 221.2924 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 7986.3440 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 9546.2511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 8.2227 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 6941.3043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 4892.9792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 7399.2584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 399.0672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 7859.4050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 1.8671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 7811.6058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 8515.7316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 9675.8045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 7802.7207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 7318.1184 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 7615.5166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 9019.3904 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 2.4261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 8080.3111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 241.4717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 7265.6418 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 8093.0005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 7398.3839 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 7289.3646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 65.0874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 7508.5984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 7996.3563 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 8415.8423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 7566.0338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 58.1049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 9134.2764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 7881.7494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 8167.6623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 128.9942 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 7387.2862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 7576.9263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 7929.8542 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 8753.9310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 8197.0554 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 7667.6532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 7619.9404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 9397.1298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 9345.9270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 9199.0375 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 8119.7233 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 9257.4655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 7472.5264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 8203.3284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 7844.4290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 7734.6397 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 7517.2484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 2.1506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 5916.8595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 7535.0765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 7464.8584 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 7444.3426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 7705.5902 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 7481.2572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 5610.5585 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 6766.5029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 403.1509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 8277.4826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 7994.4148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 122.4371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 7634.9962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 7600.7850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 8389.7382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 7906.8992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 109.3009 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 8227.4166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 116.8822 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 8021.7250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 142.1434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 7389.0055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 59.6664 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 8275.3255 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 7758.5121 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 6965.2242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 30.1535 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 7531.4094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 8078.4145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 7915.6128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 7219.2026 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 7989.8099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 7437.8244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 7419.3182 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 8088.5749 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 8380.6586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 7051.0898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 7515.7517 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 7575.4988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 113.7876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 8134.9054 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 7037.1883 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 7319.3988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 7579.3465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 7856.9314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 7570.4063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 7090.8945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 7708.8423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 7457.8339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 8877.0045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 7431.6063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 8449.3610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 1.3322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 6421.3844 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 7683.3069 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 8715.2288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 8750.5521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 7512.5267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 7675.9359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 5562.9262 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 6830.5033 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 9549.9343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 7021.2931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 7348.5591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 9519.4039 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 4.7352 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 6953.4408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 194.9575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 9457.2927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 8354.1980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 7539.8755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 7588.6666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 7876.3356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 8053.0699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 8507.4940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 7735.8618 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 57.9079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 9507.1353 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 7541.8853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 8700.2617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 9338.6516 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 7767.7107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 8360.1667 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 7698.2484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 8364.4053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 7964.5308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 7976.0340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 7545.0055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 8032.6052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 9198.0566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 7364.0200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 71.4906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 7799.5524 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 7288.4338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 7789.3503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 7758.7402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 14.9666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 6847.3209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 8333.0835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 8746.1562 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 107.2797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 7862.4623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 7961.6743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 7505.1402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 8246.8445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 3.0362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 5964.5386 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 6967.9473 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 7318.4766 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 7190.9632 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 8469.4561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 195.9906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 7262.9997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 2.7430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 8321.7614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 9727.0653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 7851.8244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 8388.5897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 7962.6697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 7434.1777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 9379.4374 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 7995.9496 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 8120.1592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 9945.9832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 8183.0118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 8976.0611 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 7558.1297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 7966.3213 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 9860.9463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 8111.4957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 7450.6582 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 7510.3599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 7517.2639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 8067.1743 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 8056.2368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 7734.0656 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 7110.3469 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 8292.6467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 1.9172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 8973.0744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 7716.8371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 66.1621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 8867.3492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 7725.3470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 8533.2630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 7242.8463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 7520.9591 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 8789.1402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 7233.5306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 8003.3688 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 73.4341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 8753.1194 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 7597.2657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 9353.4371 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 9479.2954 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 7812.1772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 8027.7221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 9848.4453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 3.9741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 7021.9533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 7399.0836 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 7398.2479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 63.0721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 7498.8988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 8443.9195 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 6841.2827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 6645.4901 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 7729.7377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 7215.6020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 7671.3416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 7388.7850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 7351.9655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 8291.2017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 7708.5282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 8523.4074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 24.1599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 6610.6813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 10373.7153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 69.7801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 8390.7823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 7614.8808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 8658.9623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 8297.1124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 7837.3314 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 8826.3359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 10.1443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 7591.2760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 8851.0337 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 8348.1731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 7998.7733 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 7820.8787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 8502.6843 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 9073.6416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 7585.7912 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 8047.4977 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 101.0261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 7842.8135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 7780.5294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 7625.6792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 7456.0259 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 7165.9706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 7653.4506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 7630.5885 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 7510.0115 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 8075.8668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 6305.8869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 108.9933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 10437.7058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 7742.9837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 10671.5673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 7982.1808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 1.9103 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 5898.2827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 7880.9291 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 5.4627 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 2.1818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 7315.9784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 1.7434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 9966.2695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 127.1040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 9550.0388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 101.8265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 6943.9635 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 4.0718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 7646.8185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 9255.8143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 7326.6196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 414.4088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 8993.6042 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 8395.2141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 8012.5797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 7824.4937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 6688.3832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 7737.7427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 8536.3738 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 9534.3101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 7954.2430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 8609.4990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 7047.2898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 8022.2612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 7495.2587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 8905.9572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 7895.0503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 8231.9905 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 7342.9506 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 9005.9133 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 7467.7595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 7578.3879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 7295.9399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 7957.4589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 8476.3441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 9420.5101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 8.3780 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 7568.5809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 6236.4881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 6829.9363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 8139.7404 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 7668.4433 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 8125.0510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 7710.2950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 7159.6065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 7494.2950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 7678.6511 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 7616.7327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 2.0764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 6124.5565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 4.7310 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 115.8403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 7566.4566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 8599.5283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 7636.3105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 5969.4999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 7510.9268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 8445.1300 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 7241.8715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 8004.6379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 8031.7801 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 8771.7148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 7534.0543 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 7442.7581 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 228.2800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 8150.3134 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 84.0647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 10183.6800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 7916.8238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 7392.0088 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 7198.5641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 7659.4995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 7912.2988 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 8446.5564 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 326.5292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 7520.2079 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 1.8313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 6944.2829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 8766.4211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 8714.1583 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 7765.4937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 7319.2811 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 9065.8548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 9822.4417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 7155.2995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 8243.5082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 7368.6596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 7963.3056 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 7784.3965 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 8841.4745 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 7948.4479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 6974.9401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 8597.0741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 7556.6100 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 4.4448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 7063.8426 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 7482.9937 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 9483.1640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 7685.2571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 7381.9559 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 7974.5629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 1.8065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 5881.0607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 7012.4532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 7362.7308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 8692.3561 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 6.7082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 7035.7646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 6396.3117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 6544.6763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 7034.6317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 9.1565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 6357.2155 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 8185.5629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 7634.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 133.3058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 7715.0645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 8129.6316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 7119.1491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 1.8064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 7004.8686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 7703.1550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 7033.8064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 7744.8884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 7615.6400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 6911.5082 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 9.2206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 10109.9443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 8017.0231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 140.7130 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 8424.8407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 3.3431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 7308.3756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 8353.6030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 7740.1685 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 7365.6220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 7750.5354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 6949.3431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 5.5955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 7274.1950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 148.0117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 7813.7948 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 7797.4875 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 8053.2686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 7358.5266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 7337.3362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 9555.3422 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 7841.6415 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 8372.3161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 9943.5894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 7925.1515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 8232.8658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 7355.8810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 8490.1889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 1.6674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 6483.7599 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 8317.1767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 831.6955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 7794.4639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 7206.3678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 7549.6064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 7899.3991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 7908.8930 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 7717.4368 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 6981.0399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 8470.5005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 7889.2126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 7728.0931 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 8872.3640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 7674.7803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 7700.9129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 7406.9686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 8852.0359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 9604.3265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 7310.0148 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 260.0690 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 7673.3238 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 7632.8064 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 7696.8569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 7687.5936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 8000.2201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 7221.2970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 7129.9595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 8313.3102 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 8425.6365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 34.2508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 7708.5333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 7683.3610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 7978.0163 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 7367.9390 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 7248.9771 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 8331.9592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 8920.7558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 8436.8084 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 7988.0423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 7141.0140 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 3.5592 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 6620.9678 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 31.1316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 7604.2237 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 9461.1625 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 9944.4487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 7142.3104 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 7500.4019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 8992.9470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 7664.9842 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 7270.6173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 15.4922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 7408.6533 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 107.7935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 103.4162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 7738.0209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 7876.9876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 8206.6117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 6566.1898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 3.1859 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 8554.4983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 7962.4322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 7683.2189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 7083.2957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 7544.2807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 8570.5792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 7414.2117 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 8744.8407 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 8031.4884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 7442.1604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 2703.3913 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 7805.4674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 9931.9552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 7956.3260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 2.9862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 6609.0317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 78.3526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 8384.3144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 3.3817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 7444.0261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 107.9355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 8323.2550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 8146.4655 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 7290.5917 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 9197.9068 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 8036.5869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 108.9215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 10191.0757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 7976.8785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 9231.1432 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 3.3742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 6994.7050 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 8578.9793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 7536.3763 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 8191.9798 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 7480.3111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 8034.1296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 8258.9488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 161.69s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.18 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 2.7841 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 7320.5067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 8146.5175 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 7953.4201 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 7989.7051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 9006.3556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 8545.3401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 7920.8682 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 8271.6603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 8220.8704 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 9137.1973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 8774.4959 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 10954.2258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 8164.4572 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 74.9072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 7345.1034 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 8467.3411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 73.7067 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 9732.6878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 70.8852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 79.7521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 8447.5296 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 10623.4964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 8432.9200 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 8641.8491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 9683.4985 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 8723.2834 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 8641.4601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 7772.0044 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 8777.2800 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 9206.1645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 9536.6809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 74.1324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 8280.4623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 11450.5326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 8648.2587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 67.1962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 8035.9454 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 9173.7324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 8317.7579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 73.7399 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 8708.3596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 8493.7402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 8688.7579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 8549.9290 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 16.9135 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 7920.8298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 8838.0855 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 8951.9560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 8365.4128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 73.8369 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 8447.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 8496.9274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 72.6376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 8619.7699 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 8435.9532 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 9784.2071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 8779.0791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 8709.1810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 8094.5172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 8813.7362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 10513.0004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 10902.8945 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 8611.4198 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 8324.3960 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 8684.5308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 8544.9853 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 8439.0124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 8207.7339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 4.9741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 8472.4305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 8476.2280 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 8139.1188 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 8511.7005 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 8451.8683 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 2.0081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 7247.2840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 8294.9971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 75.4927 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 7993.0850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 8399.0802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 8327.6522 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 7462.5619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 2.2571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 7216.6889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 9251.6394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 7853.4420 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 8161.0509 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 10247.5030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 7321.4534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 9243.0897 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 8643.4939 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 8193.5606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 9223.4837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 8411.8430 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 12349.5108 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 8400.4759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 10049.8055 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 9112.2972 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 74.5412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 8379.9507 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 8683.8406 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 8593.6626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 10581.5441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 8799.6674 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 8262.0177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 9232.9472 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 70.1111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 8768.9671 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 74.3998 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 7810.7792 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 9378.0936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 8155.6142 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 8097.8363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 8411.8324 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 8602.6772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 8375.8409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 7965.9742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 71.1676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 8321.5742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 8313.6724 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 8567.8161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 8301.8105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 8668.9684 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 73.9911 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 8998.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 107.9517 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 8213.7669 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 8050.6944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 8479.5474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 8613.2799 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 77.3677 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 9353.3451 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 8357.8265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 73.2980 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 9083.9000 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 8326.6010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 8186.7313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 9318.6306 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 74.1521 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 9523.5997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 8479.8251 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 8312.2207 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 8501.9558 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 8258.6074 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 7402.9661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 8340.2973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 516.4666 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 8119.5600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 24.0281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 9011.4786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 9139.3918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 3.0392 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 69.9298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 8479.3366 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 8809.8492 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 8069.2246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 11199.1365 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 8502.5252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 72.9802 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 8084.4541 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 79.2093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 9222.0784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 8697.3338 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 8817.6739 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 78.3794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 8095.7419 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 6374.7212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 7271.5735 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 11076.9696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 7752.0574 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 8425.7504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 8512.0715 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 67.5409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 8474.2295 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 9630.2940 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 76.8759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 11693.3325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 8818.4706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 7918.2001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 9857.5263 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 107.7203 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 8642.5950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 8610.3250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 8159.3252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 9053.8261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 11037.8230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 8383.7616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 8149.0525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 10147.3316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 8265.2239 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 12311.4484 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 8779.3218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 8470.9986 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 8642.8612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 9397.7658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 8513.3023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 2.3909 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 2.5687 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 7407.5716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 8890.5813 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 8461.2398 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 8874.9099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 9037.9755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 9218.6049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 8938.6434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 9342.5080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 8734.0265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 8639.8376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 8509.4341 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 7959.6092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 8412.9600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 8180.3984 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 8685.2475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 8858.6305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 9008.7388 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 9686.8402 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 8352.2894 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 8957.9991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 9043.3313 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 8504.3226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 8268.9587 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 9234.6918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 8544.2575 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 8056.1449 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 75.6206 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 8615.1479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 8035.5665 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 8299.0962 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 38.2868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 8784.6311 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 8390.6488 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 8279.8405 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 8372.6789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 8488.2058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 9752.6360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 7904.0322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 8040.2673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 8839.4122 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 8387.0445 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 8660.4474 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 8015.0126 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 1.5941 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 97.7539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 8156.5597 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 8176.6994 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 8542.5514 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 109.0416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 8863.9435 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 8098.5230 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 9080.8154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 8084.7138 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 8189.3272 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 8632.7526 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 8037.0307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 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-81.668535 | Delta: 1.59e-02 | M: 8379.2247 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 8685.6918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 9216.6837 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 86.2755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 9210.8336 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 8922.2248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 8922.6893 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 8904.2789 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 3.0434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 2.4595 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 99.8260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 9016.4457 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 8846.0870 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 8421.2414 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 9272.3003 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 8520.6819 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 8723.5549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 8731.6008 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 81.7317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 5585.2607 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 74.1824 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 80.5017 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 8050.7727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 8808.2455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 7877.1456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 8429.2498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 10255.0614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 8579.9944 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 2.6983 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 7687.7515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 7967.0354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 8502.1947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 9084.9394 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 77.8515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 8693.2555 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 9077.8616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 8539.9579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 8299.6600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 8420.3321 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 8305.6099 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 8552.0491 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 8563.9428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 9331.2768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 8005.2346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 7851.4153 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 7986.7090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 8767.2808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 8773.7246 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 10772.8919 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 8841.4614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 8605.1076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 9110.7785 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 8989.0455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 9220.9248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 2.8548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 4.3124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 8818.3346 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 10401.1429 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 8732.5538 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 8331.6818 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 8559.6757 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 8764.0129 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 9534.4565 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 8602.4790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 11386.5362 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 8823.3922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 8629.9620 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 9541.9258 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 8220.7468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 8747.9081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 66.0019 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 8135.6999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 8902.7830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 96.0764 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 81.2196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 8862.0695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 9143.2333 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 116.0385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 77.7695 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 8666.1465 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 8798.7835 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 8696.6035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 109.1316 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 8799.8887 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 75.1647 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 8763.9943 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 7939.3118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 10588.3482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 8458.9731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 103.9416 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 96.3212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 1.5043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 8835.3871 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 75.6706 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 9390.3467 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 8648.6377 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 9131.7653 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 8629.8848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 74.8571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 1.6810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 3.5494 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 7566.9111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 8066.6396 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 7861.1161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 76.8391 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 8575.8010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 74.1717 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 74.7804 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 102.5808 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 76.1235 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 8342.4747 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 8479.7443 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 113.4639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 8299.2308 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 8498.3603 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 7835.2326 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 74.5236 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 8458.3982 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 8219.6363 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 10446.7696 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 8317.6444 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 8368.8525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 4.9727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 7613.7586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 8487.7185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 8503.2640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 8274.7500 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 74.4515 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 8340.0225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 3.1797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 450.0081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 8370.9400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 8640.3723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 8151.4437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 8624.9015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 75.7936 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 8791.0318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 9665.4151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 8542.1209 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 72.9560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 8889.6976 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 8088.3268 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 11.4971 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 7932.7566 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 9365.8294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 9565.3024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 8552.2847 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 77.4001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 8483.2387 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 9857.7431 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 8197.4772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 7935.8350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 107.6963 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 8701.8736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 8332.3726 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 8236.3731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 72.6838 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 8337.8545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 8904.0146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 8584.7350 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 4.5382 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 7776.2966 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 9440.3229 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 8700.6714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 8829.0549 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 8333.5470 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 8317.0833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 76.0946 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 8644.3896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 9735.3755 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 8191.0141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 9057.9928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 9183.5412 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 8759.0260 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 8382.5166 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 8480.5217 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 8398.6956 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 9371.7978 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 8503.1571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 8976.5719 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 63.0716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 79.9964 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 79.0035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 8632.6318 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 8271.0274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 8368.0196 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 106.3004 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 9496.7343 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 9064.5898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 8486.8999 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 8635.5860 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 8593.7210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 8445.8453 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 9063.4010 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 8384.1478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 8223.7878 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 8627.6907 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 8971.8222 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 8118.5520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 9066.5389 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 8138.3423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 7851.4030 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 76.7833 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 79.8452 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 6986.9107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 105.8498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 9273.1086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 10031.5409 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 1.4348 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 7037.1015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 8641.7297 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 8354.0185 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 8428.8425 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 8381.6791 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 9181.6220 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 74.0545 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 7895.8261 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 116.3225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 9319.1772 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 8044.7158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 7883.0378 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 8778.6423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 8981.9689 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 8310.2174 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 98.7776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 9644.2293 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 70.9428 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 9466.2589 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 8909.7995 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 8164.4036 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 77.0820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 8533.0879 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 8454.1096 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 8585.5809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 9170.9133 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 7942.3661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 8622.5408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 9599.9775 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 9094.2164 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 7877.0754 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 3.2107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 7577.7876 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 8725.2013 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 8278.6742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 73.7550 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 9336.6489 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 74.3830 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 8158.3043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 11402.6384 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 8746.5020 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 8390.6922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 9359.8823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 8682.7322 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 10883.1083 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 7995.6330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 8794.1925 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 8712.1672 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 80.5767 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 7377.3482 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 8625.4503 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 75.2914 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 8721.3435 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 9149.2043 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 8459.5697 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 8559.1052 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 71.4072 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 9321.6177 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 8882.2713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 72.6997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 8105.8330 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 8482.6569 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 76.5741 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 8690.1062 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 2.5596 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 10499.4358 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 71.0218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 10246.3147 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 8821.9641 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 10575.7105 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 9071.9266 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 8135.1035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 9670.3827 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 9334.6355 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 9115.8339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 9156.8038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 8780.7753 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 9404.0059 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 9174.4609 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 72.0731 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 8810.3051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 2.4568 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 7089.5158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 8982.4996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 104.9101 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 8802.0832 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 8297.2450 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 103.5270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 9221.8979 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 7522.6823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 8720.6644 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 8306.7990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 9196.9146 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 9203.6022 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 9297.0468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 75.9406 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 8268.4136 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 105.3953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 8147.6243 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 8502.4794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 72.9529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 8902.4161 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 10.4468 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 9502.4846 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 8250.3327 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 8413.6464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 8214.7252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 7364.5124 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 9377.4265 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 8386.1787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 76.9621 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 8437.1210 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 11199.8413 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 8899.5760 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 74.3794 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 8711.5714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 68.6002 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 108.4614 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 9670.5580 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 10249.3531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 8170.2325 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 3.0159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 7949.8132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 8903.0376 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 8586.6732 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 8121.2221 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 18.6608 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 70.9189 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 73.2144 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 8660.5981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 7878.0981 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 8354.4360 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 8468.8922 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 8724.3464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 7846.1307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 7953.2178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 68.6840 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 9479.2173 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 11966.5038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 72.7411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 8131.4557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 8532.2264 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 9066.3226 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 8735.2636 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 8425.2086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 8074.7178 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 3.3294 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 7911.1610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 78.7006 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 9398.6090 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 8786.6579 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 168.5071 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 8420.7645 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 9288.7756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 7977.2826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 8356.1427 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 7724.6782 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 8453.1356 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 8846.8787 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 8954.7085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 8615.5057 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 8091.5817 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 8149.1537 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 8897.1746 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 10630.3873 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 8130.8884 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 7856.2723 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 7757.1483 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 8734.1054 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 9092.1138 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 3.0128 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 7698.4872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 7738.7024 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 9568.5898 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 8692.9708 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 9349.2691 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 8788.9510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 8768.3283 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 10.7933 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 8633.8267 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 11166.1305 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 9466.7796 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 11499.5403 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 83.8991 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 11230.8151 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 6294.8199 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 2.5463 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 7326.4455 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 8913.8479 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 8176.9781 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 9505.8423 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 8877.9797 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 9185.1610 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 12454.0063 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 8685.5097 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 72.3211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 8698.4990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 8247.1734 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 8858.2282 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 8052.5823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 8190.4673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 75.4145 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 9277.1339 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 9757.4307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 8695.2990 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 8265.9288 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 8313.2619 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 8755.4373 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 9841.1076 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 60.5630 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 100.1820 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 9411.8436 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 8177.8673 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 8952.9970 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 8379.0740 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 72.3023 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 8229.8303 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 8323.1646 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 9057.3417 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 9500.3713 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 8813.7547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 8829.3459 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 8958.7768 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 3.0881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 7750.6464 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 8187.7183 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 8552.5759 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 8727.7242 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 78.8539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 106.3604 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 9090.8437 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 8659.7225 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 9180.4761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 9283.1826 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 8961.5989 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 8941.6525 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 8767.8001 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 9445.2234 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 74.9408 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 8559.0244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 8238.2110 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 8422.9556 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 8570.0900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 10815.7694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 103.5215 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 9400.9727 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 8512.9862 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 2.5744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 7420.5858 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 7910.1244 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 8351.7481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 8598.0452 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 8214.8896 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 8881.3248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 8731.5241 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 8856.9054 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 8374.9456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 73.6162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 8445.0252 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 8900.2639 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 8442.5865 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 8520.6256 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 8135.0868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 107.8823 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 7944.8393 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 9615.2231 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 8086.5935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 8351.7487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 74.5075 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 66.7495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 6607.5132 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 7101.0094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 73.2058 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 8192.0694 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 10353.5495 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 8702.3928 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 8527.4967 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 8900.0961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 8833.7736 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 8224.2850 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 8521.2379 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 9168.4531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 9066.0270 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 9268.7955 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 8863.9586 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 8376.1686 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 11095.6287 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 8444.6856 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 7915.5107 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 8856.9946 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 8729.4889 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 8540.7211 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 8806.9560 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 9024.1400 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 74.0197 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 74.0248 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 7881.5744 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 7623.9616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 8805.4851 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 8243.7048 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 8422.4600 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 8317.7162 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 74.1679 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 8029.1424 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 8245.0040 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 10673.2534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 72.8434 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 8615.2992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 6642.5478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 7641.5629 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 8308.3481 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 8364.8634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 8309.1172 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 8842.9729 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 8448.3448 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 2.5722 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 7606.8143 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 8772.0790 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 75.8996 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 8489.0065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 8437.2181 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 7986.7557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 8039.0320 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 9073.3770 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 8357.7950 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 8670.3992 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 9184.0080 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 7784.0456 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 74.3281 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 8522.0539 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 8001.0571 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 76.6864 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 8472.1742 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 79.1354 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 8680.3668 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 10319.2776 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 9446.2531 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 71.7250 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 8712.7289 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 8237.8432 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 84.5093 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 8740.9349 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 8289.3803 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 9151.3810 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 72.9414 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 8708.6298 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 8187.3809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 7976.7872 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 8477.0015 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 73.0051 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 8225.5868 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 11067.0546 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 8141.5947 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 9103.6923 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 8921.2973 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 8285.7649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 8253.8661 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 8416.5605 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 9063.7640 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 3.0475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 8127.4828 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 8380.1935 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 8184.3606 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 8937.8712 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 8309.9852 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 8868.8158 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 8326.7997 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 8538.0292 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 9758.5578 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 8526.0011 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 8651.3385 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 9009.5534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 8759.3806 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 9214.6141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 8369.4035 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 8512.0552 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 11113.4809 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 104.9501 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 8572.5049 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 8266.2094 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 8576.5721 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 8728.6918 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 76.1658 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 8088.5307 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 8801.6793 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 8121.6257 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 1.5118 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 7030.3411 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 10516.4895 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 71.0676 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 8951.2504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 8661.1848 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 8157.1881 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 9423.6357 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 8761.3475 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 82.5245 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 8452.6616 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 64.8149 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 9027.9652 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 77.3520 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 8980.3284 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 12088.2401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 8162.8529 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 78.7908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 8118.7716 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 8783.2065 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 8816.7085 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 9281.4518 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 113.0869 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 72.9829 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 8239.8544 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 68.0957 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 8417.0784 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 9275.3114 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 8946.6159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 8892.2487 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 8110.9120 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 8931.6774 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 8487.4086 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 8629.0953 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 8840.6718 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 72.1254 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 10131.2623 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 7970.7765 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 181.73s (includes QPU queue + RTT) -[H2O] Time/iter: 0.20 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=2 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 2.0502 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 4970.3081 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 88.5066 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 111.3098 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 96.3309 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 77.0657 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 57.0340 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 94.3276 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 78.1534 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 67.2092 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=2 T_total=1.1960 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=2, molecule=LiH) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.393333 | Delta: inf | M: 5149.7111 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.558221 | Delta: 1.65e-01 | M: 183.5612 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.683524 | Delta: 1.25e-01 | M: 185.4159 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.969214 | Delta: 2.86e-01 | M: 101.2106 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -1.124101 | Delta: 1.55e-01 | M: 120.5460 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.536693 | Delta: 4.13e-01 | M: 107.7274 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -2.211627 | Delta: 6.75e-01 | M: 96.1087 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -2.321251 | Delta: 1.10e-01 | M: 97.8045 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -2.744259 | Delta: 4.23e-01 | M: 128.7617 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -3.048238 | Delta: 3.04e-01 | M: 186.1359 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=2 mol=LiH terms=631 terms/rank=316 T_total=1.0454 T/iter=0.1045 final_E=-3.048238 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 2 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 15.68 0.0784 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 79.22 0.1031 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 161.69 0.1805 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 181.73 0.2028 -[Results] Saved to results/simulator/simulator_20260416_234809.json -[ 457.41s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[ 457.42s] Log closed diff --git a/results_hpc/slurm/vqe-scale-P4_2558.log b/results_hpc/slurm/vqe-scale-P4_2558.log deleted file mode 100644 index 70120a5..0000000 --- a/results_hpc/slurm/vqe-scale-P4_2558.log +++ /dev/null @@ -1,3577 +0,0 @@ -=== Slurm VQE GPU job === -Host: haskell -Job ID: 2558 -GPU: 0 -MPI ranks: 2 -Thu Apr 16 23:48:30 2026 -+-----------------------------------------------------------------------------------------+ -| NVIDIA-SMI 580.126.09 Driver Version: 580.126.09 CUDA Version: 13.0 | -+-----------------------------------------+------------------------+----------------------+ -| GPU Name Persistence-M | Bus-Id Disp.A | Volatile Uncorr. ECC | -| Fan Temp Perf Pwr:Usage/Cap | Memory-Usage | GPU-Util Compute M. | -| | | MIG M. | -|=========================================+========================+======================| -| 0 NVIDIA RTX 6000 Ada Gene... On | 00000000:11:00.0 On | Off | -| 30% 24C P8 25W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ -| 1 NVIDIA RTX 6000 Ada Gene... On | 00000000:61:00.0 Off | Off | -| 30% 22C P8 24W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ - -+-----------------------------------------------------------------------------------------+ -| Processes: | -| GPU GI CI PID Type Process name GPU Memory | -| ID ID Usage | -|=========================================================================================| -| No running processes found | -+-----------------------------------------------------------------------------------------+ -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) available -[Stack] Initialized 4 MPI rank(s), GPU=enabled, SV_backend=GPU (cuStateVec), backend='simulator' - - ---- RUNNING CHEMISTRY TASK H2 --- -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036757 | Delta: inf | M: 32.4159 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.034346 | Delta: 2.41e-03 | M: 27.2871 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.041786 | Delta: 7.44e-03 | M: 36.9212 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -0.022947 | Delta: 1.88e-02 | M: 29.1161 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -0.039845 | Delta: 1.69e-02 | M: 13.0966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.032940 | Delta: 6.91e-03 | M: 21.1469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -0.038593 | Delta: 5.65e-03 | M: 12.1860 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -0.034324 | Delta: 4.27e-03 | M: 36.4714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -0.038720 | Delta: 4.40e-03 | M: 1606.4058 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -0.038716 | Delta: 4.22e-06 | M: 28.2021 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.041388 | Delta: 2.67e-03 | M: 31.2216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0012 | Energy: -0.039931 | Delta: 1.46e-03 | M: 27.8685 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0013 | Energy: -0.046354 | Delta: 6.42e-03 | M: 27.9253 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0014 | Energy: -0.041947 | Delta: 4.41e-03 | M: 25.3040 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0015 | Energy: -0.049653 | Delta: 7.71e-03 | M: 19.8710 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.047697 | Delta: 1.96e-03 | M: 27.3529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0017 | Energy: -0.045866 | Delta: 1.83e-03 | M: 23.0121 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0018 | Energy: -0.051388 | Delta: 5.52e-03 | M: 25.1867 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0019 | Energy: -0.055030 | Delta: 3.64e-03 | M: 29.4213 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0020 | Energy: -0.056306 | Delta: 1.28e-03 | M: 29.2514 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.055543 | Delta: 7.63e-04 | M: 25.5905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0022 | Energy: -0.061926 | Delta: 6.38e-03 | M: 0.8558 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0023 | Energy: -0.061371 | Delta: 5.56e-04 | M: 20.9394 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0024 | Energy: -0.052939 | Delta: 8.43e-03 | M: 29.5356 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0025 | Energy: -0.057413 | Delta: 4.47e-03 | M: 52.1596 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.072205 | Delta: 1.48e-02 | M: 31.7574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0027 | Energy: -0.082031 | Delta: 9.83e-03 | M: 36.5023 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0028 | Energy: -0.088259 | Delta: 6.23e-03 | M: 3.9425 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0029 | Energy: -0.083477 | Delta: 4.78e-03 | M: 71.5673 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0030 | Energy: -0.087601 | Delta: 4.12e-03 | M: 124.7240 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.095204 | Delta: 7.60e-03 | M: 193.4398 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0032 | Energy: -0.104732 | Delta: 9.53e-03 | M: 43.8436 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0033 | Energy: -0.105180 | Delta: 4.48e-04 | M: 49.9782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0034 | Energy: -0.107591 | Delta: 2.41e-03 | M: 17.9605 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0035 | Energy: -0.117344 | Delta: 9.75e-03 | M: 108.2715 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.125186 | Delta: 7.84e-03 | M: 82.2728 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0037 | Energy: -0.123267 | Delta: 1.92e-03 | M: 35.6526 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0038 | Energy: -0.137322 | Delta: 1.41e-02 | M: 58.7172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0039 | Energy: -0.152753 | Delta: 1.54e-02 | M: 3154.2588 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0040 | Energy: -0.157060 | Delta: 4.31e-03 | M: 42.7668 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.157721 | Delta: 6.61e-04 | M: 14.3532 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0042 | Energy: -0.156961 | Delta: 7.60e-04 | M: 43.0011 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0043 | Energy: -0.162177 | Delta: 5.22e-03 | M: 256.8712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0044 | Energy: -0.179111 | Delta: 1.69e-02 | M: 2113.9873 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0045 | Energy: -0.188373 | Delta: 9.26e-03 | M: 47.2816 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.200790 | Delta: 1.24e-02 | M: 75.3193 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0047 | Energy: -0.197062 | Delta: 3.73e-03 | M: 132.8561 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0048 | Energy: -0.189798 | Delta: 7.26e-03 | M: 229.8526 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0049 | Energy: -0.205025 | Delta: 1.52e-02 | M: 194.9687 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0050 | Energy: -0.234639 | Delta: 2.96e-02 | M: 96.7260 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.230608 | Delta: 4.03e-03 | M: 48.3140 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0052 | Energy: -0.238507 | Delta: 7.90e-03 | M: 225.1379 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0053 | Energy: -0.245525 | Delta: 7.02e-03 | M: 201.5705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0054 | Energy: -0.237356 | Delta: 8.17e-03 | M: 198.8513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0055 | Energy: -0.259306 | Delta: 2.19e-02 | M: 1900.2835 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.275362 | Delta: 1.61e-02 | M: 2354.4284 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0057 | Energy: -0.272275 | Delta: 3.09e-03 | M: 2420.3585 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0058 | Energy: -0.292185 | Delta: 1.99e-02 | M: 1199.1581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0059 | Energy: -0.302573 | Delta: 1.04e-02 | M: 275.7469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0060 | Energy: -0.349488 | Delta: 4.69e-02 | M: 2420.6647 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.377147 | Delta: 2.77e-02 | M: 1567.4145 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0062 | Energy: -0.377085 | Delta: 6.25e-05 | M: 1440.0618 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0063 | Energy: -0.378766 | Delta: 1.68e-03 | M: 2322.5815 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0064 | Energy: -0.397378 | Delta: 1.86e-02 | M: 251.1096 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0065 | Energy: -0.428638 | Delta: 3.13e-02 | M: 268.2788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.428725 | Delta: 8.65e-05 | M: 343.9185 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0067 | Energy: -0.456223 | Delta: 2.75e-02 | M: 202.4095 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0068 | Energy: -0.477559 | Delta: 2.13e-02 | M: 97.0741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0069 | Energy: -0.481686 | Delta: 4.13e-03 | M: 41.0700 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0070 | Energy: -0.489568 | Delta: 7.88e-03 | M: 48.0683 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.488210 | Delta: 1.36e-03 | M: 100.9387 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0072 | Energy: -0.492942 | Delta: 4.73e-03 | M: 23.4059 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0073 | Energy: -0.555441 | Delta: 6.25e-02 | M: 125.1640 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0074 | Energy: -0.558116 | Delta: 2.67e-03 | M: 194.8813 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0075 | Energy: -0.557646 | Delta: 4.70e-04 | M: 152.7985 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.555519 | Delta: 2.13e-03 | M: 103.9500 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0077 | Energy: -0.569376 | Delta: 1.39e-02 | M: 23.3455 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0078 | Energy: -0.593032 | Delta: 2.37e-02 | M: 242.4674 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0079 | Energy: -0.586227 | Delta: 6.81e-03 | M: 1129.5824 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0080 | Energy: -0.591151 | Delta: 4.92e-03 | M: 23.0357 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.608018 | Delta: 1.69e-02 | M: 58.8681 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0082 | Energy: -0.603117 | Delta: 4.90e-03 | M: 2559.1659 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0083 | Energy: -0.603431 | Delta: 3.14e-04 | M: 94.0929 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0084 | Energy: -0.623809 | Delta: 2.04e-02 | M: 124.2484 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0085 | Energy: -0.618667 | Delta: 5.14e-03 | M: 51.5275 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.648739 | Delta: 3.01e-02 | M: 88.6039 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0087 | Energy: -0.645768 | Delta: 2.97e-03 | M: 1102.5919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0088 | Energy: -0.648330 | Delta: 2.56e-03 | M: 65.7052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0089 | Energy: -0.652072 | Delta: 3.74e-03 | M: 105.6060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0090 | Energy: -0.663115 | Delta: 1.10e-02 | M: 70.6353 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.667072 | Delta: 3.96e-03 | M: 66.8968 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0092 | Energy: -0.686643 | Delta: 1.96e-02 | M: 259.2001 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0093 | Energy: -0.717692 | Delta: 3.10e-02 | M: 71.8318 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0094 | Energy: -0.725276 | Delta: 7.58e-03 | M: 236.4458 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0095 | Energy: -0.760465 | Delta: 3.52e-02 | M: 69.6116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.760575 | Delta: 1.10e-04 | M: 4.0669 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0097 | Energy: -0.792131 | Delta: 3.16e-02 | M: 66.0133 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0098 | Energy: -0.811251 | Delta: 1.91e-02 | M: 276.4776 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0099 | Energy: -0.834872 | Delta: 2.36e-02 | M: 116.4337 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0100 | Energy: -0.866477 | Delta: 3.16e-02 | M: 65.2521 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.858003 | Delta: 8.47e-03 | M: 82.5198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0102 | Energy: -0.907781 | Delta: 4.98e-02 | M: 197.8426 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0103 | Energy: -0.914757 | Delta: 6.98e-03 | M: 59.1568 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0104 | Energy: -0.910524 | Delta: 4.23e-03 | M: 166.6697 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0105 | Energy: -0.916545 | Delta: 6.02e-03 | M: 287.4672 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.913122 | Delta: 3.42e-03 | M: 78.4380 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0107 | Energy: -0.935058 | Delta: 2.19e-02 | M: 209.0338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0108 | Energy: -0.939233 | Delta: 4.17e-03 | M: 363.4092 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0109 | Energy: -0.938823 | Delta: 4.09e-04 | M: 110.7775 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0110 | Energy: -0.951156 | Delta: 1.23e-02 | M: 23.5750 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.972435 | Delta: 2.13e-02 | M: 59.8953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0112 | Energy: -1.014662 | Delta: 4.22e-02 | M: 4.0471 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0113 | Energy: -1.021855 | Delta: 7.19e-03 | M: 468.7679 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0114 | Energy: -1.039026 | Delta: 1.72e-02 | M: 20.0512 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0115 | Energy: -1.078631 | Delta: 3.96e-02 | M: 80.0299 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -1.074066 | Delta: 4.57e-03 | M: 160.1589 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0117 | Energy: -1.080843 | Delta: 6.78e-03 | M: 23.7536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0118 | Energy: -1.077193 | Delta: 3.65e-03 | M: 196.1025 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0119 | Energy: -1.098943 | Delta: 2.18e-02 | M: 1745.7589 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0120 | Energy: -1.113970 | Delta: 1.50e-02 | M: 360.0987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -1.120281 | Delta: 6.31e-03 | M: 133.5643 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0122 | Energy: -1.117180 | Delta: 3.10e-03 | M: 209.1074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0123 | Energy: -1.131374 | Delta: 1.42e-02 | M: 329.0139 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0124 | Energy: -1.130586 | Delta: 7.89e-04 | M: 2393.2343 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0125 | Energy: -1.134508 | Delta: 3.92e-03 | M: 138.4806 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -1.134896 | Delta: 3.87e-04 | M: 1916.4685 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -NOTE: Energy -1.1695 crossed below FCI -1.1373 at iter 127 - HWE ansatz leaving physical sector (expected limitation) -Iter 0127 | Energy: -1.169454 | Delta: 3.46e-02 | M: 90.4005 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0128 | Energy: -1.161551 | Delta: 7.90e-03 | M: 189.1312 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0129 | Energy: -1.165341 | Delta: 3.79e-03 | M: 560.4063 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0130 | Energy: -1.162592 | Delta: 2.75e-03 | M: 626.7255 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -1.166031 | Delta: 3.44e-03 | M: 104.6141 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0132 | Energy: -1.172081 | Delta: 6.05e-03 | M: 2432.4355 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0133 | Energy: -1.169426 | Delta: 2.66e-03 | M: 194.2555 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0134 | Energy: -1.178971 | Delta: 9.54e-03 | M: 27.9735 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0135 | Energy: -1.182285 | Delta: 3.31e-03 | M: 6.4155 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -1.177917 | Delta: 4.37e-03 | M: 2274.3056 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0137 | Energy: -1.179370 | Delta: 1.45e-03 | M: 2451.9495 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0138 | Energy: -1.186667 | Delta: 7.30e-03 | M: 2570.3992 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0139 | Energy: -1.188373 | Delta: 1.71e-03 | M: 2391.8581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0140 | Energy: -1.187870 | Delta: 5.03e-04 | M: 398.1607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.212090 | Delta: 2.42e-02 | M: 2249.8199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0142 | Energy: -1.214721 | Delta: 2.63e-03 | M: 378.2281 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0143 | Energy: -1.219015 | Delta: 4.29e-03 | M: 2471.5200 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0144 | Energy: -1.230619 | Delta: 1.16e-02 | M: 2606.1788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0145 | Energy: -1.231294 | Delta: 6.75e-04 | M: 2313.4375 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.238420 | Delta: 7.13e-03 | M: 2345.3529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0147 | Energy: -1.240041 | Delta: 1.62e-03 | M: 2456.2578 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0148 | Energy: -1.253496 | Delta: 1.35e-02 | M: 2230.9246 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0149 | Energy: -1.265603 | Delta: 1.21e-02 | M: 296.1655 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0150 | Energy: -1.270863 | Delta: 5.26e-03 | M: 2290.1761 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.268570 | Delta: 2.29e-03 | M: 336.0125 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0152 | Energy: -1.276877 | Delta: 8.31e-03 | M: 150.4975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0153 | Energy: -1.284514 | Delta: 7.64e-03 | M: 2299.5078 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0154 | Energy: -1.295406 | Delta: 1.09e-02 | M: 124.3375 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0155 | Energy: -1.297339 | Delta: 1.93e-03 | M: 2276.1518 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.296740 | Delta: 5.99e-04 | M: 0.7841 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0157 | Energy: -1.302708 | Delta: 5.97e-03 | M: 2381.1690 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0158 | Energy: -1.304841 | Delta: 2.13e-03 | M: 315.5027 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0159 | Energy: -1.314083 | Delta: 9.24e-03 | M: 0.6459 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0160 | Energy: -1.323153 | Delta: 9.07e-03 | M: 2244.8444 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.325430 | Delta: 2.28e-03 | M: 2409.8031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0162 | Energy: -1.331394 | Delta: 5.96e-03 | M: 2320.5625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0163 | Energy: -1.330747 | Delta: 6.47e-04 | M: 2353.5819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0164 | Energy: -1.332724 | Delta: 1.98e-03 | M: 353.5500 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0165 | Energy: -1.333137 | Delta: 4.13e-04 | M: 2344.7367 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.331896 | Delta: 1.24e-03 | M: 1862.0976 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0167 | Energy: -1.335423 | Delta: 3.53e-03 | M: 3452.5899 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0168 | Energy: -1.342308 | Delta: 6.89e-03 | M: 21.2078 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0169 | Energy: -1.351245 | Delta: 8.94e-03 | M: 103.1728 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0170 | Energy: -1.355412 | Delta: 4.17e-03 | M: 164.8504 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.353259 | Delta: 2.15e-03 | M: 52.5218 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0172 | Energy: -1.356363 | Delta: 3.10e-03 | M: 120.6220 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0173 | Energy: -1.357287 | Delta: 9.24e-04 | M: 219.6013 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0174 | Energy: -1.359004 | Delta: 1.72e-03 | M: 2120.9574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0175 | Energy: -1.353181 | Delta: 5.82e-03 | M: 2708.0889 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.363325 | Delta: 1.01e-02 | M: 89.1477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0177 | Energy: -1.366474 | Delta: 3.15e-03 | M: 80.6178 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0178 | Energy: -1.367146 | Delta: 6.72e-04 | M: 203.3940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0179 | Energy: -1.367449 | Delta: 3.03e-04 | M: 59.7453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0180 | Energy: -1.371866 | Delta: 4.42e-03 | M: 86.7173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.377779 | Delta: 5.91e-03 | M: 1767.9834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0182 | Energy: -1.385216 | Delta: 7.44e-03 | M: 2811.6871 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0183 | Energy: -1.383623 | Delta: 1.59e-03 | M: 2670.8233 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0184 | Energy: -1.381520 | Delta: 2.10e-03 | M: 2678.5850 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0185 | Energy: -1.388368 | Delta: 6.85e-03 | M: 284.2260 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.387086 | Delta: 1.28e-03 | M: 2545.3627 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0187 | Energy: -1.390614 | Delta: 3.53e-03 | M: 55.4812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0188 | Energy: -1.386489 | Delta: 4.12e-03 | M: 2788.1416 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0189 | Energy: -1.396734 | Delta: 1.02e-02 | M: 11.6615 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0190 | Energy: -1.397083 | Delta: 3.50e-04 | M: 2595.6285 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.394238 | Delta: 2.85e-03 | M: 34.1369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0192 | Energy: -1.403216 | Delta: 8.98e-03 | M: 2655.9054 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0193 | Energy: -1.402394 | Delta: 8.21e-04 | M: 33.1114 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0194 | Energy: -1.407194 | Delta: 4.80e-03 | M: 138.2751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0195 | Energy: -1.408051 | Delta: 8.57e-04 | M: 9.6564 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.415914 | Delta: 7.86e-03 | M: 197.8329 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0197 | Energy: -1.415213 | Delta: 7.01e-04 | M: 13.2961 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0198 | Energy: -1.409566 | Delta: 5.65e-03 | M: 342.8559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0199 | Energy: -1.420202 | Delta: 1.06e-02 | M: 535.4351 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0200 | Energy: -1.420053 | Delta: 1.48e-04 | M: 602.9634 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.134896 Ha (error: 0.0024 Ha) at iter 126 -[VQE] Final energy -1.420053 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.134896 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0024 Ha -[H2] Iterations run: 200 (best at iter 126) -[H2] Wall time: 16.40s (includes QPU queue + RTT) -[H2] Time/iter: 0.08 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 0.4791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 36.0763 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 23.9496 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 25.8366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 25.2553 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 21.3173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 23.7067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 106.2063 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 25.9922 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 34.1441 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 25.4954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 25.9164 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 28.0618 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 30.8930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 31.6877 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 50.4117 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 111.7351 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 26.1784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 42.9227 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 31.2960 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 45.2534 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 35.1787 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 33.3139 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 50.7503 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 98.9595 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 42.9626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 23.4930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 109.1116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 30.1817 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 40.4056 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 56.5975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 84.9502 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 23.2398 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 5.6031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 56.2271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 40.5563 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 41.7548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 36.4348 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 35.5059 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 35.8060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 18.6662 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 118.8497 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 45.1293 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 29.5839 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 134.9305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 125.3690 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 32.8626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 118.2502 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 2418.9674 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 120.0837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 53.5216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 3197.3102 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 45.8857 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 59.8138 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 30.2032 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 66.3517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 36.4263 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 60.5542 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 37.2463 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 29.2948 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 55.3581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 55.2301 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 31.5813 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 48.9240 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 31.3416 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 121.9548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 0.9009 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 42.4926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 48.0438 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 39.5695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 38.4065 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 27.8527 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 28.9574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 32.8573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 26.3742 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 0.7770 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 90.4881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 22.0180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 45.2473 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 27.1751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 33.1858 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 27.1129 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 87.1529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 107.6601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 29.6860 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 23.4520 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 4394.9132 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 20.4727 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 31.3043 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 26.5713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 39.6854 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 23.5838 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 25.3581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 24.1901 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 21.2753 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 30.7002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 23.0762 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 26.2797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 31.9322 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 32.5338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 89.4768 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 24.6254 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 39.3383 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 11.4247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 69.5477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 24.9663 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 41.9852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 31.2567 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 41.0802 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 39.1708 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 30.7312 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 72.7118 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 32.5556 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 69.5707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 58.0439 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 45.9735 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 60.5156 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 30.1641 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 26.6853 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 35.4319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 33.4943 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 31.4548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 12.8982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 39.7149 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 57.4797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 42.7438 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 38.7714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 32.3287 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 23.5695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 76.6458 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 26.6919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 42.9678 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 37.7228 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 32.7898 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 31.0411 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 25.6272 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 57.4919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 48.5589 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 2331.9519 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 30.8318 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 2598.0790 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 25.8927 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 32.0041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 28.2034 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 34.9376 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 24.0893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 37.2507 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 49.9641 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 24.7349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 93.7712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 48.0070 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 52.0610 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 43.6122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 34.8980 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 63.7228 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 44.4910 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 37.1936 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 119.8989 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 35.1248 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 49.3179 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 47.9204 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 110.6664 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 48.2931 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 59.8153 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 114.9478 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 32.2091 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 148.3415 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 19.4546 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 31.3472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 47.5516 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 33.3635 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 23.1123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 107.1381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 15.7615 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 2.3927 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 6.0093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 3.0317 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 5460.5500 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 14.9190 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 11.1488 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 47.1608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 33.2231 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 107.8465 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 51.2792 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 102.6817 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 51.2436 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 51.1634 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 25.4666 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 25.5123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 49.0170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 138.2803 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 2877.8511 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 49.4211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 3168.6885 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 2861.3791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 60.1103 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 2968.0151 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 33.5084 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 0.9201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 33.7849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 34.0940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 113.8219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 87.3874 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 33.4572 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 25.7413 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 35.7908 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 53.5626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 30.0819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 27.5933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 34.8960 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 32.2667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 28.6811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 40.5450 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 33.1871 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 0.7741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 3074.5409 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 30.3558 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 29.9580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 37.1923 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 36.9060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 49.0445 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 37.6266 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 70.0384 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 120.8997 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 47.9028 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 46.9725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 25.7224 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 37.1367 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 4201.9420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 27.2053 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 84.7089 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 41.3306 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 31.8472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 128.3702 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 37.8547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 48.6748 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 54.2084 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 38.5223 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 37.3528 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 61.4202 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 50.0295 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 73.6603 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 59.0177 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 61.1586 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 114.1969 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 48.6256 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 46.0920 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 46.4580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 37.8163 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 30.8518 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 31.9460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 59.7032 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 51.3806 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 39.3061 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 39.7228 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 20.4050 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 19.7344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 21.8022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 22.5556 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 23.9357 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 24.0475 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 22.2135 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 22.1993 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 25.9456 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 21.8378 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 41.7292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 30.2703 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 37.9214 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 89.7104 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 51.5614 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 33.0225 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 34.4117 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 23.9929 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 34.7161 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 24.3965 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 23.3437 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 113.7375 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 51.8952 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 50.9782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 55.0093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 24.0430 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 51.9716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 104.8715 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 45.5033 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 105.6811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 25.0014 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 54.5271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 24.6787 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 32.0680 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 97.0635 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 34.5687 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 36.6146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 32.5743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 28.4139 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 25.1812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 36.2185 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 25.8197 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 33.1402 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 33.7369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 2.66e-03 | M: 21.4282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -6.031663 | Delta: 6.15e-03 | M: 43.8127 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0302 | Energy: -6.031893 | Delta: 2.30e-04 | M: 52.2687 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0303 | Energy: -6.047116 | Delta: 1.52e-02 | M: 25.7624 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0304 | Energy: -6.051927 | Delta: 4.81e-03 | M: 30.7915 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0305 | Energy: -6.050012 | Delta: 1.92e-03 | M: 29.7765 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -6.054527 | Delta: 4.52e-03 | M: 23.2116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0307 | Energy: -6.056025 | Delta: 1.50e-03 | M: 31.5933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 30.9107 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 23.1358 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 37.9844 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 33.8723 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 44.9672 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 48.3608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 35.8010 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0315 | Energy: -6.109791 | Delta: 2.05e-02 | M: 24.0601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -6.105568 | Delta: 4.22e-03 | M: 47.6426 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0317 | Energy: -6.106627 | Delta: 1.06e-03 | M: 27.1010 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0318 | Energy: -6.106746 | Delta: 1.19e-04 | M: 44.3047 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0319 | Energy: -6.102035 | Delta: 4.71e-03 | M: 2939.8579 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0320 | Energy: -6.114345 | Delta: 1.23e-02 | M: 22.1904 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -6.108782 | Delta: 5.56e-03 | M: 22.8698 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0322 | Energy: -6.122013 | Delta: 1.32e-02 | M: 21.2978 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 25.5956 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 21.6064 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 28.9767 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 23.4842 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 23.6576 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 22.9548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 24.6219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 23.0004 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 0.9559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 27.1248 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 22.3771 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 24.6199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 25.4732 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 23.7913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 51.6576 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 52.2713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 50.3791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 54.2701 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 2791.2309 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 25.0717 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 51.9321 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 51.1583 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 92.8667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 24.8454 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 104.6201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 30.2955 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 112.0580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 45.2407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 37.3987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 0.8605 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 104.4244 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 65.9506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 106.3148 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 30.9031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 100.7030 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 46.7147 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 49.2510 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 3125.3856 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 2980.6407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 108.7604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 33.9402 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 52.7749 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 3057.1157 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 2971.4009 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 48.9544 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 20.3788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 22.8801 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 21.7945 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 20.3607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 20.4305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 4294.2533 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 15.6230 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 94.7273 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 20.8351 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 29.0690 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 33.4708 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 26.4497 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 72.4336 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 28.1996 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 38.2951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 22.4222 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 31.1042 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 25.1699 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 31.8476 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 38.3282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 50.2768 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 33.0847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 33.6111 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 30.2982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 3005.2310 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 23.0475 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 48.7473 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 41.5220 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 29.4068 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 126.3598 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 45.2362 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 110.8836 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 36.8905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 41.5638 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 3006.9265 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 31.6601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 45.2180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 45.8612 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 50.0993 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 3012.2266 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 50.8911 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 111.8331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 104.0013 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 57.3509 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 2640.2837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 11.2963 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 49.6811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 35.2495 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 30.9937 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 36.2288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 38.4292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 38.6998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 78.5875 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 35.3026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 109.5949 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 58.2279 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 36.2045 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 41.1730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 39.2030 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 39.0008 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 27.9550 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 43.4651 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 94.1995 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 49.5484 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 13.4237 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 73.1429 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 68.9949 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 33.0654 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 42.8211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 25.4774 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 44.6837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 2916.9290 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 3039.2499 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 31.6834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 35.8546 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 33.9136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 29.3999 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 72.8317 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 27.3930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 29.2035 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 52.6685 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 30.8042 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 142.2334 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 170.5293 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 37.0534 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 2994.0445 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 14.2829 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 3087.6704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 114.7455 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 2924.3529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 2961.9552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 113.4480 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 2987.6282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 91.3483 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 2960.8498 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 0.9288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 86.9959 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 22.8951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 5.9727 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 37.1636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 32.3608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 31.3423 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 29.9344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 38.8366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 36.8051 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 91.5289 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 33.5469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 32.3894 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 32.2498 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 33.7977 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 29.1079 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 43.6347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 38.6409 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 51.7588 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 113.9484 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 45.1459 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 31.4869 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 36.4420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 34.2475 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 33.0953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 30.0016 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 32.7953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 0.7621 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 3285.8750 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 30.8841 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 26.0368 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 40.2716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 33.1782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 42.4477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 30.4484 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 32.4000 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 28.0837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 40.7026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 29.9104 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 38.1886 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 103.4496 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 31.8630 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 92.1204 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 32.0673 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 94.8243 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 22.5191 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 101.7566 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 3.5573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 4.9583 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 108.5232 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 37.0504 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 79.5615 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 4534.8531 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 23.9450 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 51.8135 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 24.3282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 30.1541 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 121.5327 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 43.6513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 128.9305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 29.1285 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 124.6470 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 3078.0552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 139.9206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 2950.4955 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 120.6247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 77.4205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 113.0132 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 98.8280 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 118.4755 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 3304.4047 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 117.3440 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 116.3017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 3112.1170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 97.0994 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 34.6461 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 37.3753 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 106.1988 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 32.2925 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 35.5963 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 3049.2121 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 51.3543 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 50.5559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 91.4441 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 2056.0320 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 46.5908 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 41.3772 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 44.4875 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 37.0875 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 83.2769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 52.8547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 119.9507 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 119.5327 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 35.8383 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 33.8957 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 48.4198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 131.5436 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 35.5923 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 55.8951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 44.7961 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 44.8604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 134.8405 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 37.5879 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 113.3409 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 11.3719 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 3012.6725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 3078.2306 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 46.2667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 3309.4926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 61.8493 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 103.1165 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 44.1015 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 60.0842 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 43.9109 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 101.3288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 46.7035 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 103.3238 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 42.2460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 54.3177 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 100.1956 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 107.1536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 44.7604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 2986.2123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 111.5369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 56.6633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 110.4221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 129.1441 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 89.2823 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 55.1730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 60.4810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 71.6205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 68.7113 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 1.0138 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 89.8395 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 59.7702 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 116.8958 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 93.0876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 131.4587 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 125.3594 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 109.1809 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 113.5196 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 71.4370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 64.8864 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 67.0119 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 81.8599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 128.4354 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 120.0161 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 63.1590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 59.1372 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 78.8675 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 139.5299 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 3268.3549 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 88.9535 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 77.7771 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 98.8137 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 128.0950 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 131.7801 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 128.0277 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 133.5172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 3470.2637 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 130.0138 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 3398.2491 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 126.8485 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 81.3233 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 114.4148 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 3397.8784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 0.8094 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 3144.4625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 129.5636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 3085.7990 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 3048.5971 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 3016.3147 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 3068.7644 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 52.1646 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 3071.7977 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 3001.5163 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 3044.5067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 73.8663 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 61.3187 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 57.3983 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 3057.2849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 77.5703 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 3038.5508 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 3039.2842 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 3181.8152 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 3063.8108 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 61.6331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 3165.5982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 11.7131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 32.4001 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 3077.4547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 44.8353 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 53.1358 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 66.2709 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 3130.4184 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 46.5767 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 5917.7611 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 21.2782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 3181.9938 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 48.8973 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 54.3721 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 73.9332 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 3037.6017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 51.3568 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 52.6100 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 53.0282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 50.8628 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 3082.9421 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 3002.9390 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 2991.1278 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 64.9714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 3149.1768 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 71.3962 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 63.6705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 119.4630 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 3030.2264 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 3121.0823 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 116.9723 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 3084.7573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 60.4936 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 66.4030 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 2751.9586 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 2994.3450 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 2983.7839 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 3022.4720 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 3025.5712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 3066.2133 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 3144.3208 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 2963.2267 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 116.1357 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 2966.2148 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 2994.6562 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 2993.0574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 2985.6036 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 2985.1208 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 2965.7634 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 3073.5764 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 3159.1632 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 3094.8040 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 3255.5164 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 2987.1605 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 2930.2942 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 3057.7122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 44.8986 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 67.5935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 52.5725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 64.7397 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 84.2292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 61.4778 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 94.6931 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 122.0494 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 92.6560 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 99.1785 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 121.3808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 92.9940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 54.9207 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 75.4662 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 127.9661 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 124.5559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 124.0383 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 39.2922 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 118.7725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 29.7636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 67.6873 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 0.9379 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 2183.2202 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 121.8334 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 2999.8769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 101.8970 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 2276.5663 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 54.6704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 107.0365 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 3056.7780 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 3915.9693 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 43.5095 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 3007.4378 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 57.9261 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 2989.8575 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 101.5108 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 101.4296 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 3176.3788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 113.8933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 2950.3956 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 52.8449 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 35.7270 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 47.7630 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 95.3992 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 2861.7619 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 51.7757 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 27.0738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 34.7743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 30.4633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 28.4477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 3048.9590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 29.6010 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 3013.5186 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 24.0502 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 31.8985 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 28.6707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 28.0764 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 3023.7777 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 22.6662 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 29.5318 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 0.7926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 21.3917 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 6.5057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 78.35s (includes QPU queue + RTT) -[LiH] Time/iter: 0.10 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 2.8505 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 3876.8940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 58.7876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 152.4298 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 58.1541 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 10.3042 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 4585.7112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 4.0826 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 4088.7972 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 5.4547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 4234.1064 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 61.0110 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 20.0817 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 54.6408 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 32.6251 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 32.1772 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 4755.2244 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 1098.9878 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 59.5336 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 5083.6765 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 59.4830 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 59.7974 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 58.2969 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 54.8925 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 25.2911 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 4376.6437 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 5.5273 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 29.9855 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 86.9399 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 5212.6982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 60.0326 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 58.9650 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 4909.7526 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 6.0893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 33.0003 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 32.7115 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 33.2670 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 32.8786 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 53.1052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 59.2473 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 8.9402 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 15.3288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 3.1493 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 3.5645 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 3.0423 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 23.6168 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 72.9930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 1.5146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 3621.1648 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 32.9215 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 56.7019 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 5351.0936 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 33.8086 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 54.5707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 5.1905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 35.2221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 5303.2517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 23.8083 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 57.7892 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 81.9239 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 4295.1370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 33.4774 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 4.0089 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 52.2341 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 35.5100 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 56.7320 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 56.9678 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 25.4551 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 55.4696 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 34.1426 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 58.2946 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 59.6260 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 32.7350 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 55.6153 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 2.0026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 49.2026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 32.8300 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 33.6791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 54.4371 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 4425.7991 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 77.2410 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 51.2389 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 55.6952 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 58.8275 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 62.0400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 23.4073 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 56.8987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 55.8154 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 55.2500 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 34.0344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 66.7314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 53.7828 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 4850.5363 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 56.8472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 4.9373 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 3739.9210 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 32.0067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 32.7715 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 54.0437 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 64.1474 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 1.5092 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 3543.7581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 92.7983 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 25.5377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 58.1573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 36.3419 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 59.3259 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 51.6579 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 4134.1187 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 57.8021 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 31.3537 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 25.0796 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 86.1014 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 7.8034 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 30.1914 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 4260.4031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 59.1060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 54.6623 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 50.4062 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 34.5027 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 80.5622 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 7.6852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 56.7050 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 33.1104 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 55.9191 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 4663.4719 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 33.3195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 33.1799 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 1148.2598 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 56.7514 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 4562.8766 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 3.9858 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 31.9806 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 4097.3570 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 4.4731 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 4532.3370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 15.3207 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 56.6286 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 34.9323 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 4194.4912 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 3.9958 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 13.2069 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 4117.0115 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 4029.5012 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 27.9278 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 34.5246 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 33.2337 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 78.8818 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 4.6593 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 2.7203 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 1.7810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 2.1028 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 3871.8651 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 1.5215 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 3575.3241 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 4626.8678 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 5.4241 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 4093.6833 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 52.6244 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 54.8198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 4151.7160 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 4161.2507 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 4790.3636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 52.3326 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 58.3960 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 6090.9738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 51.9251 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 59.1751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 56.8786 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 4341.7607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 69.1890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 56.3953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 3.0887 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 3856.4840 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 30.2467 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 4829.7739 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 24.5590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 4505.2784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 3.9019 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 3764.7657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 57.5800 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 32.3426 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 34.6390 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 5062.6642 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 4342.3180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 99.0296 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 26.7411 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 1.2894 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 3422.6532 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 33.1989 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 58.8775 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 85.7857 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 30.8216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 4998.3651 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 34.2931 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 59.3330 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 94.4456 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 33.9158 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 30.9885 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 52.0745 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 4704.9657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 31.6702 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 4073.7772 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 61.5467 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 60.5031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 34.9571 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 1.5219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 3450.2165 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 52.5485 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 32.0175 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 4750.6924 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 7.3072 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 4376.2876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 99.0247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 4315.7150 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 33.0976 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 4406.2343 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 25.1361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 5454.2214 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 32.5245 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 4722.1049 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 32.5983 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 3.8131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 3.0896 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 14.8881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 4559.6580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 33.4085 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 25.0531 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 4817.5333 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 4276.8667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 58.6921 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 90.4836 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 56.2944 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 34.0212 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 35.9331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 55.5719 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 4615.5106 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 55.1815 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 34.6179 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 76.7995 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 24.2930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 4716.5329 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 32.1002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 54.9623 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 32.5603 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 4399.3015 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 55.9888 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 4304.1067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 4842.4285 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 32.7056 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 3116.1011 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 25.2356 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 59.2051 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 4839.7812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 57.0372 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 4380.7913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 33.9612 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 34.4377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 58.1506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 1.3946 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 47.1014 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 56.6144 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 25.4449 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 11.6144 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 5.8784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 55.4919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 4312.0692 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 33.7213 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 3880.0165 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 58.4657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 57.5763 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 4294.7991 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 59.9422 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 58.5959 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 34.4529 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 31.9576 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 4286.9570 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 54.8549 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 7.9769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 51.2537 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 4109.5192 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 51.8742 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 61.5310 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 24.6997 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 4318.8612 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 4520.9361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 38.7112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 53.3262 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 4561.4970 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 5223.1517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 2.6956 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 29.2738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 74.9452 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 57.8501 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 55.7005 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 31.8344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 5.1325 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 44.9867 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 33.2553 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 48.8232 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 4617.8309 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 57.6851 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 56.6491 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 4167.4759 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 14.5017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 24.6081 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 4378.8482 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 7.6096 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 3809.6925 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 55.7561 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 32.2519 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 2.2052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 1.1142 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 428.9778 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 1.9341 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 27.2158 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 127.7181 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 34.6205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 59.3099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 59.0033 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 32.3791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 55.1461 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 2.9525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 37.3971 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 5845.3105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 4522.7762 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 4584.4496 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 4506.8954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 4346.6337 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 55.8453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 4277.9695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 4606.4838 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 25.1422 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 3216.7979 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 57.6152 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 35.8460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 50.6307 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 31.7069 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 25.6151 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 4673.7052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 52.3367 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 5068.8966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 4270.0213 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 5.4823 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 339.3905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 60.5432 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 3.1123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 28.4481 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 4254.1862 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 14.5090 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 33.7577 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 4517.7896 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 61.2932 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 4743.0852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 2.1365 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 48.1291 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 24.3419 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 4233.3998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 2.5309 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 4.0601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 37.0002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 33.5273 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 2447.5716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 33.1506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 60.2799 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 1.6892 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 1636.7022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 65.1771 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 3.4805 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 51.8439 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 32.1941 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 58.4831 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 58.2732 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 4983.7847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 8.1567 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 55.3837 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 20.8199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 80.4006 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 33.8843 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 4715.3459 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 5429.1058 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 4365.4284 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 4224.8968 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 33.1330 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 1.5573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 45.4958 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 2.5280 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 29.8798 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 23.7114 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 3044.8071 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 4756.2912 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 30.0130 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 61.1021 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 56.2701 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 54.8005 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 4334.0781 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 31.8192 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 4245.4447 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 7.0756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 9.9096 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 33.7861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 1077.7196 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 4152.0276 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 5562.6136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 52.9808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 33.8866 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 3.1635 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 2.5732 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 47.3547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 4604.7523 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 34.6890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 4762.4730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 57.2345 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 56.1074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 3740.1811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 55.6088 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 4239.1354 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 32.3866 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 1.4515 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 19.5865 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 62.3590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 33.6229 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 4162.9025 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 56.0624 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 4744.6565 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 4764.3783 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 6.2513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 31.7672 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 4981.4584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 24.4856 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 81.6291 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 1.8180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 49.4832 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 57.8022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 35.0818 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 3517.0009 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 53.8209 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 4.8425 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 54.9057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 33.8704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 4275.9797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 5.2407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 4259.2233 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 4449.1699 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 16.2147 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 56.1573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 56.6832 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 62.8827 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 36.9935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 31.8861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 4602.2918 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 53.0175 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 32.9126 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 56.1890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 4549.3361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 33.0141 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 4352.3051 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 25.0136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 56.4399 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 59.3589 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 35.8943 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 32.9708 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 34.5038 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 52.2195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 58.8314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 59.4029 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 55.9360 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 63.4290 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 2.7517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 28.8146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 32.6498 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 1.4946 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 4.3024 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 29.4627 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 4662.4024 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 33.0856 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 4440.7136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 4659.8632 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 42.4230 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 32.8366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 4253.0112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 81.2381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 36.0849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 2255.9004 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 4845.5046 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 32.5126 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 53.6822 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 4.2241 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 5.3913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 57.3764 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 587.7497 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 4640.4340 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 4416.0861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 25.8247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 57.7776 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 58.6966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 32.4830 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 4256.5917 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 33.0471 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 4321.5019 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 35.6199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 32.8075 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 61.6530 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 59.8127 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 2944.5881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 55.0645 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 1.8866 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 45.0521 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 61.9657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 80.7518 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 64.6410 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 66.4112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 34.7608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 59.3797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 34.7046 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 4620.8952 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 35.6228 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 31.9961 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 34.6015 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 59.2477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 31.9105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 5544.3516 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 4179.9771 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 29.7319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 1.3496 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 48.5103 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 32.2288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 24.0379 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 54.8779 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 56.6359 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 37.2048 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 31.3282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 33.9905 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 4108.3981 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 56.0037 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 62.4173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 46.0501 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 4939.7356 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 12.4721 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 53.5684 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 54.5333 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 4273.2581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 4.0743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 10.9431 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 68.4118 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 69.3361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 2.7423 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 3558.9699 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 2.3639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 46.4024 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 55.6795 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 57.0691 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 55.5384 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 4449.8688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 5.9031 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 1.9215 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 48.7750 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 55.5756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 108.1850 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 33.9524 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 3613.4247 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 7.9520 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 30.3257 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 4178.6250 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 53.2493 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 4540.6403 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 51.5647 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 4103.0790 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 33.4595 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 34.5544 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 4448.6694 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 2.7617 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 2.7082 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 11.3812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 2.6479 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 1169.4545 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 63.1483 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 3.6210 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 4600.5200 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 6.8011 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 3949.7886 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 62.1819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 4802.9784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 60.4558 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 4669.7609 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 56.4906 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 57.6646 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 55.6506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 64.9167 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 5800.6527 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 32.8913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 2306.6266 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 24.6558 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 32.4758 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 4279.4400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 6295.8620 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 54.3941 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 33.2208 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 4169.8893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 35.4218 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 33.8107 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 4406.4244 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 4647.0506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 56.3718 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 5475.4454 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 5249.3252 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 4601.5705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 4418.5341 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 2.9276 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 45.3045 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 56.1588 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 31.7195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 4268.5113 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 60.0650 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 2.9486 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 2.3614 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 4409.9080 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 4483.7531 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 56.2159 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 56.3732 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 57.2237 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 4298.6710 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 2.8494 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 45.8704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 2.6013 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 3.4028 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 48.4726 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 4170.0524 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 56.0321 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 19.4461 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 1.2198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 3540.3014 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 1.9611 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 46.5453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 56.8005 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 4524.2893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 32.8026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 4450.4363 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 2.9890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 27.5981 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 18.5555 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 23.4987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 83.0745 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 3.1552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 2.7966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 51.4206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 25.2342 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 33.2628 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 3714.7853 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 2.2273 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 48.1542 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 33.3201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 56.4842 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 57.6612 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 34.0704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 58.4248 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 3.9198 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 4.9969 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 4532.6834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 30.8548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 32.6694 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 4297.6645 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 1.5655 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 46.8192 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 59.1664 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 34.0281 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 31.4760 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 25.1039 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 9.8174 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 4153.5999 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 64.2928 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 2.2903 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 3.3665 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 3870.5840 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 54.2131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 43.1498 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 33.6830 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 62.4041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 24.4614 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 43.5787 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 1.5143 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 128.9433 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 12.4352 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 1.8154 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 3834.4647 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 11.9633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 4386.3709 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 28.4596 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 57.1096 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 24.0524 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 31.9344 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 65.7861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 4188.6414 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 2.9191 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 2.2698 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 5446.6808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 10.0939 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 9.7781 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 3.0908 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 53.0366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 32.4333 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 59.8557 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 4034.4516 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 1.9141 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 4120.4178 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 56.0964 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 55.5417 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 57.2510 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 4654.5086 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 5.5186 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 18.0347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 32.5421 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 31.1623 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 32.4346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 3573.2713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 34.0813 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 60.4893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 5173.7729 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 32.9292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 30.9110 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 4280.6105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 4683.7760 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 33.6777 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 4204.9987 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 24.6445 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 4354.7939 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 11.0452 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 32.5763 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 60.2625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 59.2604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 51.5797 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 55.4401 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 54.9994 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 3987.8711 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 4568.4855 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 58.4542 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 1.8281 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 4064.2673 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 57.3525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 56.3659 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 24.6119 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 4039.0004 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 60.4242 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 53.4868 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 55.2105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 36.2573 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 32.8057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 23.9489 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 4732.5335 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 32.8206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 59.3043 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 59.0080 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 4315.1055 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 64.3374 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 33.2682 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 57.0661 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 54.9136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 4333.3809 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 34.7562 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 3.5416 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 56.6101 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 6.8211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 58.2380 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 60.5944 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 51.7439 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 4597.0355 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 2.2954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 9.5976 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 32.2535 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 60.9354 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 35.0629 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 58.2477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 33.1919 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 60.3635 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 13.3599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 59.2209 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 58.3859 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 2.0805 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 4175.2952 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 34.3041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 25.1382 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 57.8082 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 65.0447 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 5084.1624 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 33.9525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 24.2920 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 14.9623 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 4601.4159 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 64.3704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 1.2092 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 3698.5025 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 3636.5349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 2.0584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 29.6016 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 60.7730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 31.9224 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 4279.7464 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 54.8746 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 4624.1158 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 51.6349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 34.2170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 4738.0109 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 3994.7469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 32.4603 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 1.4899 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 41.4455 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 54.4489 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 61.8886 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 54.3397 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 30.4613 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 4812.9347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 56.8682 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 4459.9039 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 25.3587 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 6.8845 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 56.2716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 58.0194 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 50.1417 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 58.2728 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 56.1146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 55.6196 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 32.4755 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 59.1262 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 32.9371 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 56.2308 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 33.6600 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 4527.0250 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 32.5378 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 5611.1906 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 34.6074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 3559.3928 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 63.5885 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 33.8274 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 17.9109 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 13.9187 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 4900.2215 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 38.5770 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 4312.6933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 6275.9369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 969.7844 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 33.0525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 62.6341 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 1.1544 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 3725.3242 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 33.0060 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 3924.6330 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 24.2086 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 4224.0137 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 63.1796 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 25.3733 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 4094.6327 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 35.8395 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 4266.1201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 32.7827 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 5591.1593 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 64.7948 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 33.7835 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 3986.0298 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 55.7025 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 58.5725 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 8.3371 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 4937.9222 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 57.3608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 4749.7218 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 4353.0780 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 38.2778 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 29.4131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 13.6967 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 30.5380 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 57.6926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 5577.2384 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 30.5639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 60.9016 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 36.3402 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 17.8216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 33.8862 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 70.3057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 3.4734 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 3838.1655 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 6.7460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 54.6710 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 5188.0815 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 4945.8206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 3.4679 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 2.0932 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 47.6942 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 33.5876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 56.5170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 32.3536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 4961.0828 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 59.7718 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 3.4352 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 2858.3212 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 5074.3156 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 3.9122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 1.0400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 170.58s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.19 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 0.1284 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 4533.6691 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 3.6093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 3.3575 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 4635.9038 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 6030.9847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 5294.0272 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 6613.3689 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 4638.3249 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 5029.5752 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 6.7888 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 41.3557 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 71.2766 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 5581.4648 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 6657.5896 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 5500.1935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 6710.7469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 5189.8520 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 1.8936 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 4394.8582 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 5319.1633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 5497.1962 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 5678.4328 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 6613.6649 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 5725.5900 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 40.7254 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 5534.7020 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 6355.1347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 6194.5121 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 5492.1830 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 6639.4562 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 5484.5926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 6210.4633 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 5548.2065 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 5.1751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 53.5656 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 2.7471 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 4119.8639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 8.8057 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 6307.2740 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 6558.9156 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 5475.8929 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 1.5035 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 4700.5995 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 237.0840 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 6559.3053 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 5194.2672 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 5616.7105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 4605.6292 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 5534.6339 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 6663.2303 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 5811.1523 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 5499.3396 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 191.4085 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 4.1449 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 5876.2739 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 6515.3963 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 8047.0131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 4668.7853 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 43.1601 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 229.4002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 5742.3785 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 3.5231 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 4736.9610 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 7.3099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 4257.1722 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 7305.9167 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 5634.4773 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 4.4824 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 5.1316 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 4949.4747 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 2.6084 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 4649.8300 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 1.7338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 4339.0940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 186.5719 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 5730.0508 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 12.4574 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 2.1942 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 3.6301 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 4659.4274 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 2.8583 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 3.5111 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 4111.5472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 6103.2296 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 6517.3059 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 4395.1996 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 6457.8083 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 6169.8762 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 4632.8780 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 6189.7150 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 5589.2570 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 6014.1469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 5685.2179 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 5253.5810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 1.6742 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 30.1953 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 6715.2146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 5865.9907 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 6007.2046 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 5264.1174 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 6.0305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 6467.8527 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 6349.8141 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 5941.1904 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 6490.7591 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 5523.3721 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 4755.6288 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 4783.8619 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 6335.1221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 4457.2271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 6586.1268 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 5708.6906 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 4585.7230 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 5390.7688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 5150.7756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 4616.9438 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 6410.6099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 6544.8009 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 4432.9599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 6763.1949 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 4815.3705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 5562.9289 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 6401.4221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 5348.3940 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 3.8928 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 1.4307 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 4192.6711 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 1.5519 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 4546.5852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 5980.3796 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 3.2767 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 4500.1061 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 6775.6267 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 2.6568 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 60.1054 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 7331.5639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 4007.3784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 5710.6180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 6375.7609 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 5665.7870 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 5426.9413 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 5601.6546 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 5971.6910 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 5502.4810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 4717.8320 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 6961.0730 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 5352.8772 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 2.4752 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 4548.9162 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 6235.5580 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 5771.6116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 4681.2738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 1.7511 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 4424.3039 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 34.6692 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 5470.7301 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 6467.8213 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 2.1972 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 1.9030 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 4065.3592 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 4802.5548 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 6.8403 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 4952.1065 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 5836.5328 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 6901.0346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 6140.0002 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 6345.6531 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 6285.0697 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 5424.8887 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 6750.8040 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 4770.7801 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 2.0819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 59.3178 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 6755.2463 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 3902.0950 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 8.7920 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 5.2690 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 7883.3802 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 5833.0954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 4488.9262 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 5954.4553 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 6548.0903 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 5437.7918 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 3.4347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 6178.3964 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 6562.3751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 5423.2917 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 5250.0131 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 75.6747 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 5345.8404 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 4945.8381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 5801.9220 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 4642.3298 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 4377.1080 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 7535.1248 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 4426.6908 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 1.9752 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 2.4881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 4702.4411 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 5180.1954 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 1.9705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 5534.7997 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 5.3115 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 5.3425 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 5362.3968 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 5311.7003 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 5161.5113 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 1.5980 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 4737.1683 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 5702.4781 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 51.1802 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 5521.0769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 41.0969 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 4801.2349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 6463.9250 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 4245.8876 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 6127.3370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 5998.1017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 6107.0741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 7219.8851 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 4483.8688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 6.3999 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 99.2346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 5069.4174 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 7911.9480 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 6843.4432 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 5998.7199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 2.3294 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 6694.0037 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 5412.3225 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 6366.4124 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 12.0205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 5477.8365 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 5703.0295 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 4929.1738 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 6877.7930 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 4257.6620 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 5772.3552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 5588.3716 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 5088.8088 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 6177.2933 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 39.1118 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 4638.0565 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 6616.0393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 4535.6608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 35.3951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 4.5386 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 5201.8713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 5294.2834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 5632.0581 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 5173.6513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 7783.7259 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 6898.8305 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 1.2472 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 4890.6221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 5872.6585 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 6313.5450 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 5472.5754 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 4824.1695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 4635.8116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 7578.1968 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 5071.1314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 65.5861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 2.1350 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 3731.3364 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 2.7910 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 7155.7832 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 5966.5861 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 5863.6485 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 5568.1820 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 5876.0801 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 5215.2727 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 4786.1847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 7.5551 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 5053.6268 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 55.4596 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 3.7816 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 2.0281 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 4711.4267 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 7530.2893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 30.5238 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 4525.1393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 5389.7102 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 5238.1638 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 5570.5116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 5400.7751 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 4363.5671 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 39.4829 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 4522.4604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 6041.2960 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 4668.9575 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 34.5008 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 6.6528 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 2.1863 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 37.5599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 4.5760 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 9.3003 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 4499.6568 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 6.8271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 18.2684 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 5425.2229 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 5517.9652 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 5460.3189 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 6591.2347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 34.1346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 2.8361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 1.7187 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 4918.0819 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 4822.0533 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 4478.8143 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 6149.5163 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 4300.7219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 110.2173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 5126.8855 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 7023.6199 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 100.6211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 5590.4765 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 5496.3945 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 4.0471 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 5120.4127 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 6.5591 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 4989.5306 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 7553.8001 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 4780.3912 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 7151.1408 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 4638.3172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 3.8525 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 1.5331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 43.6093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 4903.5300 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 7735.5722 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 6.1860 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 5.6214 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 7.0629 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 5668.0189 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 5078.1827 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 5197.4441 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 5914.3821 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 41.3099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 49.3317 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 38.5642 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 5947.4114 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 33.2703 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 6178.2287 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 5228.1302 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 44.3904 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 3.8700 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 6022.0579 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 35.1405 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 5447.6590 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 4633.5625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 5444.3469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 6439.4297 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 7.7625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 5706.5741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 4.0028 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 4272.8701 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 2.1448 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 44.1219 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 1.4195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 4788.6158 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 4287.6093 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 2.9624 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 3896.1683 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 6913.2632 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 5059.2422 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 2.3321 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 3.6436 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 4543.0561 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 109.8137 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 4844.6511 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 1.6442 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 3864.7810 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 4430.2033 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 99.3079 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 6270.0194 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 5367.4364 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 6036.4431 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 90.0704 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 34.1483 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 40.5222 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 15.7888 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 4579.9964 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 6576.1216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 4350.7937 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 5.0788 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 4863.5237 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 6235.4712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 6254.8957 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 11.2891 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 5216.2368 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 5423.8207 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 6877.4533 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 60.8671 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 5758.9396 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 5899.9177 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 5578.3105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 68.4326 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 229.1420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 6680.1592 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 6021.4020 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 7422.5282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 5425.1255 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 6557.0384 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 5564.7079 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 6467.5625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 5976.4278 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 4777.1812 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 4562.0188 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 5.4518 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 4429.7054 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 4908.0140 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 1.6268 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 3721.8458 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 6024.1358 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 6649.3975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 5236.7405 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 4829.1259 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 50.3637 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 2.8189 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 4.1535 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 44.8203 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 5549.8098 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 5710.3099 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 5684.0404 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 5.9226 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 3.9233 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 5051.7990 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 4859.3707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 5296.3667 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 4.5858 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 4629.9112 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 52.8256 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 6547.8966 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 4720.7743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 6793.3453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 6594.5355 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 5404.0272 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 4338.6694 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 4296.7483 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 40.7677 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 4601.5489 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 6139.4743 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 5436.1420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 14.1255 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 3.6640 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 6026.5584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 4463.8513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 3.3874 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 4353.4744 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 7.1538 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 5180.6447 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 4466.4364 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 50.0224 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 4951.9880 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 42.6836 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 4416.4721 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 6838.7517 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 5171.3185 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 5899.6044 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 6824.1932 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 4478.9923 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 4723.1216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 8.2552 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 5688.9784 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 2.5017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 5700.4712 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 4932.3164 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 6234.8526 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 5090.3342 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 5542.7906 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 6199.5949 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 4541.2974 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 5990.8890 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 4822.7508 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 52.2381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 5826.4882 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 6440.1910 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 4956.0348 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 42.6122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 4513.4802 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 5969.0323 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 7079.7657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 5675.2377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 5020.2046 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 56.5067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 23.2170 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 19.1268 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 4662.4092 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 4913.3347 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 3.3809 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 175.1294 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 6622.9909 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 5826.1852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 4348.8111 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 1.8714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 19.2349 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 5055.8083 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 7723.8019 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 4354.4756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 5893.5156 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 4968.3931 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 52.7319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 6649.7856 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 4403.7616 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 5560.4705 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 5637.9839 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 6397.1302 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 6068.6656 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 6033.2245 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 5662.3022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 6130.1849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 6060.6609 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 33.2840 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 4579.5508 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 6506.9614 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 5760.5425 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 18.5655 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 2.1368 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 4.0206 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 3.8576 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 5.0179 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 4.7995 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 5214.2756 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 6383.3808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 4686.7469 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 2.4713 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 3797.8180 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 5214.9490 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 6412.0827 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 4524.5271 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 5551.5820 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 5696.0767 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 6099.2119 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 5915.4514 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 7574.7724 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 6191.8173 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 5461.7707 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 5029.0881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 239.4052 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 7220.7688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 56.6828 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 6390.1201 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 5554.4679 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 5753.7893 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 5557.2146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 2.0280 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 2.0578 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 5104.2921 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 43.0764 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 4.2108 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 2.7501 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 4010.1833 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 6269.9283 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 94.5097 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 7203.3343 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 4584.7506 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 5371.0146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 6991.7175 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 5138.1604 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 6475.9375 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 20.7774 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 7157.4799 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 3870.2166 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 7142.9715 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 4791.2278 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 1.6263 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 2.9935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 10.8022 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 4708.2845 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 7205.8253 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 1.1102 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 4998.6976 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 7786.1760 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 5334.7639 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 52.5779 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 4.0366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 1.7627 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 6235.6403 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 5834.7120 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 4.2068 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 5081.2838 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 4966.7620 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 7.4336 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 5517.3513 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 5570.5195 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 5033.3983 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 5583.1389 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 3.8821 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 4280.9421 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 5603.6959 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 70.5205 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 54.9210 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 5647.6626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 4488.9880 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 6577.7532 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 4677.9669 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 6541.7319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 6045.5447 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 5162.2595 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 4655.8990 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 68.8172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 7431.4000 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 5405.3378 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 4890.6430 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 7025.4620 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 4696.4717 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 4942.5957 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 123.4142 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 5.3145 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 5.6921 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 6016.4710 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 6361.4353 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 4500.9811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 4544.6741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 2.1460 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 4253.2420 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 4784.2977 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 5576.8847 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 4631.8626 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 5490.0013 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 4938.5807 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 66.3625 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 5028.6174 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 1.8282 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 4913.2095 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 4.3631 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 5.0385 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 5079.9400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 5457.8295 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 5366.2276 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 6525.3587 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 4397.4650 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 5489.8536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 7116.8978 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 4610.2651 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 4932.6036 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 4853.2438 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 5229.0067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 5465.1943 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 6236.2989 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 6854.0067 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 190.4428 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 3.0575 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 4828.9546 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 4555.9295 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 7808.5314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 6377.8978 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 5742.1457 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 4190.8377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 2415.3477 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 42.5922 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 5333.0400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 5418.1182 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 91.8782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 41.3599 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 5683.0076 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 4869.0913 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 4753.5782 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 41.8476 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 5424.5032 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 6722.1606 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 6725.1448 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 4236.4407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 5614.1551 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 9.7169 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 5223.1074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 4725.3287 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 5811.4545 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 5286.8889 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 3978.9390 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 5141.0119 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 5.5397 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 3.3680 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 4287.5741 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 6203.0592 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 95.2559 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 1.4598 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 4833.7310 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 6193.4511 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 4846.0319 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 4938.4582 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 2.5657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 5175.8986 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 7158.5874 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 4478.3225 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 8.2657 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 4278.7370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 9.9935 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 5217.0571 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 2.9122 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 6.1335 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 5191.4376 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 4667.2226 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 5621.4611 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 6590.5021 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 4938.2123 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 5513.4729 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 50.8216 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 17.6210 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 24.7686 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 6180.3985 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 5096.8826 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 5413.2136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 5346.7638 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 6886.2775 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 6443.7409 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 3869.2815 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 4660.6824 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 5739.7074 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 5593.5881 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 5432.4603 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 5.2718 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 5.7688 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 5034.2241 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 6908.5193 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 5418.1397 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 4723.1250 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 4991.4102 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 6449.9584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 4327.3345 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 5224.7996 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 4814.1808 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 5147.0762 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 17.5536 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 5844.9132 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 4577.8395 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 5109.9105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 3710.9394 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 6.9400 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 1.1975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 115.0015 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 5648.7453 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 5051.6041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 5495.2849 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 2.3418 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 4301.4017 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 2.6393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 17.8951 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 2.7714 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 3799.6832 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 5156.1423 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 4762.1831 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 102.3811 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 5027.7807 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 5256.5008 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 6642.1308 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 39.3209 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 6.1117 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 5767.9584 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 5784.0798 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 6169.4965 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 1.8381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 4725.9314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 7263.0264 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 4739.2693 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 4622.0873 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 5428.7331 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 6346.7361 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 5639.4309 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 33.3834 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 6191.4636 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 6173.5766 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 4627.4950 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 5839.9650 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 5818.8996 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 8.7872 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 7.6389 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 1.6731 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 3888.5961 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 5012.8220 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 5103.1041 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 5236.4261 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 23.0421 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 113.4298 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 240.6673 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 5724.1221 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 5933.5024 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 5785.2103 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 6096.6998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 6140.5493 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 32.0695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 5438.3899 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 1.5852 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 3937.4495 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 5.0795 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 4370.2894 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 7.6172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 5403.7116 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 4696.1189 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 5725.5172 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 6316.5446 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 65.9078 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 6780.6527 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 5393.6464 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 3.9879 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 8.5407 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 6006.9795 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 5518.9399 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 6252.6805 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 5790.5338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 5.9075 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 5882.0495 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 7.7967 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 5601.5314 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 86.6272 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 5625.6607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 4528.1463 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 6932.1547 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 78.5388 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 6699.9929 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 5.3346 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 27.8027 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 41.1607 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 4720.4340 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 5760.1193 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 6659.7948 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 5.9816 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 26.6828 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 4312.5251 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 5.6845 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 5795.2985 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 4803.4192 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 2.8684 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 5756.4105 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 5030.6571 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 6187.5920 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 7220.8006 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 2.3761 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 110.8665 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 5918.4998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 5907.9237 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 4861.5038 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 4853.8366 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 5429.1659 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 4.6539 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 1.1982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 4915.7395 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 7149.3146 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 4329.4926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 5.3723 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 5016.8371 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 4694.8458 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 6654.6283 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 4437.6691 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 6914.8675 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 4720.7926 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 6740.2838 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 6453.9370 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 4722.6077 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 5729.5534 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 4369.2982 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 5546.2610 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 5657.3270 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 6807.5975 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 5495.5600 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 6466.7824 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 5038.3203 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 3.6393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 5106.3783 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 4.4661 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 2.2026 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 15.4791 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 17.9401 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 3.4043 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 3882.5769 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 16.5717 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 216.0696 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 2.4501 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 4270.9311 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 5868.4227 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 4535.8998 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 5.7152 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 15.3340 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 50.3999 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 6380.3338 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 7482.8521 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 4590.1981 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 8077.0377 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 4883.6945 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 5832.7608 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 5015.2553 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 4862.0127 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 2.5766 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 4537.2376 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 6871.3880 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 4606.0249 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 2.2390 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 4823.9075 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 2.1034 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 4503.2537 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 7804.4464 | Path: GPU-cuStateVec MPI-distributed (4 ranks)hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[ 513.55s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[ 513.55s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[ 513.56s] Log closed - -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 5248.2814 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 5795.2844 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 6893.7671 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 188.88s (includes QPU queue + RTT) -[H2O] Time/iter: 0.21 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=4 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 4115.1569 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 33.7012 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 42.0695 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 44.1381 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 41.7617 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 35.3393 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 34.9675 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 35.3063 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 27.6109 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 33.5432 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=4 T_total=1.0286 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=4, molecule=BeH2) -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.941342 | Delta: inf | M: 3452.4658 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0002 | Energy: -0.833920 | Delta: 1.07e-01 | M: 4044.4136 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0003 | Energy: -0.817770 | Delta: 1.62e-02 | M: 6509.2190 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0004 | Energy: -1.556355 | Delta: 7.39e-01 | M: 25.0780 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0005 | Energy: -4.824463 | Delta: 3.27e+00 | M: 30.9731 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -5.071194 | Delta: 2.47e-01 | M: 4516.1211 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0007 | Energy: -5.347888 | Delta: 2.77e-01 | M: 23.1369 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0008 | Energy: -7.078545 | Delta: 1.73e+00 | M: 57.5310 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0009 | Energy: -7.193924 | Delta: 1.15e-01 | M: 61.5176 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -Iter 0010 | Energy: -7.626978 | Delta: 4.33e-01 | M: 34.5399 | Path: GPU-cuStateVec MPI-distributed (4 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=4 mol=BeH2 terms=666 terms/rank=166 T_total=1.9680 T/iter=0.1968 final_E=-7.626978 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 4 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.134896 +0.0024 Ha HWE (adaptive) 0.342 200 16.40 0.0820 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 78.35 0.1020 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 170.58 0.1904 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 188.88 0.2108 -[Results] Saved to results/simulator/simulator_20260416_235706.json -[ 513.55s] Log closed diff --git a/results_hpc/slurm/vqe-scale-P8_2559.log b/results_hpc/slurm/vqe-scale-P8_2559.log deleted file mode 100644 index d5fa68e..0000000 --- a/results_hpc/slurm/vqe-scale-P8_2559.log +++ /dev/null @@ -1,3697 +0,0 @@ -=== Slurm VQE GPU job === -Host: haskell -Job ID: 2559 -GPU: 0 -MPI ranks: 2 -Thu Apr 16 23:57:30 2026 -+-----------------------------------------------------------------------------------------+ -| NVIDIA-SMI 580.126.09 Driver Version: 580.126.09 CUDA Version: 13.0 | -+-----------------------------------------+------------------------+----------------------+ -| GPU Name Persistence-M | Bus-Id Disp.A | Volatile Uncorr. ECC | -| Fan Temp Perf Pwr:Usage/Cap | Memory-Usage | GPU-Util Compute M. | -| | | MIG M. | -|=========================================+========================+======================| -| 0 NVIDIA RTX 6000 Ada Gene... On | 00000000:11:00.0 On | Off | -| 30% 27C P8 25W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ -| 1 NVIDIA RTX 6000 Ada Gene... On | 00000000:61:00.0 Off | Off | -| 30% 26C P8 25W / 300W | 1MiB / 49140MiB | 0% Default | -| | | N/A | -+-----------------------------------------+------------------------+----------------------+ - -+-----------------------------------------------------------------------------------------+ -| Processes: | -| GPU GI CI PID Type Process name GPU Memory | -| ID ID Usage | -|=========================================================================================| -| No running processes found | -+-----------------------------------------------------------------------------------------+ -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Stack] GPU statevector (cuStateVec) available -[Stack] Initialized 8 MPI rank(s), GPU=enabled, SV_backend=GPU (cuStateVec), backend='simulator' - - ---- RUNNING CHEMISTRY TASK H2 --- -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.415769 | Delta: inf | M: 0.3746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -0.414238 | Delta: 1.53e-03 | M: 34.0430 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -0.414237 | Delta: 1.17e-06 | M: 55.3619 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -0.404982 | Delta: 9.25e-03 | M: 151.7140 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -0.411638 | Delta: 6.66e-03 | M: 248.4459 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.410751 | Delta: 8.88e-04 | M: 358.2874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -0.410402 | Delta: 3.48e-04 | M: 36.0959 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -0.411980 | Delta: 1.58e-03 | M: 49.0259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -0.411343 | Delta: 6.37e-04 | M: 247.0488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -0.413588 | Delta: 2.25e-03 | M: 378.0372 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.408617 | Delta: 4.97e-03 | M: 61.8965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0012 | Energy: -0.407999 | Delta: 6.18e-04 | M: 50.0670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0013 | Energy: -0.413237 | Delta: 5.24e-03 | M: 276.3865 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0014 | Energy: -0.409132 | Delta: 4.10e-03 | M: 260.6749 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0015 | Energy: -0.415285 | Delta: 6.15e-03 | M: 407.8313 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.413150 | Delta: 2.13e-03 | M: 250.0783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0017 | Energy: -0.410279 | Delta: 2.87e-03 | M: 341.7962 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0018 | Energy: -0.413731 | Delta: 3.45e-03 | M: 2019.5908 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0019 | Energy: -0.415341 | Delta: 1.61e-03 | M: 1596.1290 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0020 | Energy: -0.414812 | Delta: 5.28e-04 | M: 440.1608 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.415110 | Delta: 2.97e-04 | M: 242.0186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0022 | Energy: -0.416220 | Delta: 1.11e-03 | M: 0.8124 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0023 | Energy: -0.415681 | Delta: 5.39e-04 | M: 33.9123 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0024 | Energy: -0.413188 | Delta: 2.49e-03 | M: 0.7086 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0025 | Energy: -0.413405 | Delta: 2.17e-04 | M: 16.9885 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.420886 | Delta: 7.48e-03 | M: 67.3309 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0027 | Energy: -0.421932 | Delta: 1.05e-03 | M: 20.3645 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0028 | Energy: -0.423704 | Delta: 1.77e-03 | M: 29.7670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0029 | Energy: -0.423902 | Delta: 1.98e-04 | M: 27.1589 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0030 | Energy: -0.425555 | Delta: 1.65e-03 | M: 55.5524 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.426032 | Delta: 4.76e-04 | M: 29.4595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0032 | Energy: -0.428081 | Delta: 2.05e-03 | M: 20.4919 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0033 | Energy: -0.426308 | Delta: 1.77e-03 | M: 44.0603 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0034 | Energy: -0.425536 | Delta: 7.72e-04 | M: 26.7814 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0035 | Energy: -0.432150 | Delta: 6.61e-03 | M: 38.4494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.428034 | Delta: 4.12e-03 | M: 21.2324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0037 | Energy: -0.426126 | Delta: 1.91e-03 | M: 34.8481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0038 | Energy: -0.431975 | Delta: 5.85e-03 | M: 25.5627 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0039 | Energy: -0.432206 | Delta: 2.31e-04 | M: 34.1814 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0040 | Energy: -0.439498 | Delta: 7.29e-03 | M: 35.6450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.435992 | Delta: 3.51e-03 | M: 30.2487 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0042 | Energy: -0.434088 | Delta: 1.90e-03 | M: 146.7120 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0043 | Energy: -0.436261 | Delta: 2.17e-03 | M: 73.4799 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0044 | Energy: -0.442139 | Delta: 5.88e-03 | M: 14.9378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0045 | Energy: -0.443055 | Delta: 9.16e-04 | M: 90.0944 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.452456 | Delta: 9.40e-03 | M: 31.9566 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0047 | Energy: -0.450788 | Delta: 1.67e-03 | M: 145.4399 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0048 | Energy: -0.446015 | Delta: 4.77e-03 | M: 98.6402 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0049 | Energy: -0.449972 | Delta: 3.96e-03 | M: 53.2620 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0050 | Energy: -0.461351 | Delta: 1.14e-02 | M: 115.1937 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.457401 | Delta: 3.95e-03 | M: 138.8059 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0052 | Energy: -0.458754 | Delta: 1.35e-03 | M: 406.3977 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0053 | Energy: -0.468033 | Delta: 9.28e-03 | M: 77.5870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0054 | Energy: -0.464556 | Delta: 3.48e-03 | M: 267.3121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0055 | Energy: -0.467731 | Delta: 3.18e-03 | M: 79.8948 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -0.474267 | Delta: 6.54e-03 | M: 122.6346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0057 | Energy: -0.472280 | Delta: 1.99e-03 | M: 70.9755 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0058 | Energy: -0.480852 | Delta: 8.57e-03 | M: 72.9349 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0059 | Energy: -0.482216 | Delta: 1.36e-03 | M: 170.4465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0060 | Energy: -0.490064 | Delta: 7.85e-03 | M: 138.9030 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -0.497491 | Delta: 7.43e-03 | M: 62.9833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0062 | Energy: -0.500866 | Delta: 3.38e-03 | M: 113.3126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0063 | Energy: -0.500269 | Delta: 5.97e-04 | M: 341.8132 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0064 | Energy: -0.503942 | Delta: 3.67e-03 | M: 106.4957 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0065 | Energy: -0.515819 | Delta: 1.19e-02 | M: 61.2721 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -0.515044 | Delta: 7.75e-04 | M: 57.3979 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0067 | Energy: -0.524634 | Delta: 9.59e-03 | M: 110.0499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0068 | Energy: -0.526894 | Delta: 2.26e-03 | M: 68.6860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0069 | Energy: -0.528178 | Delta: 1.28e-03 | M: 46.8604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0070 | Energy: -0.533745 | Delta: 5.57e-03 | M: 210.5272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -0.533760 | Delta: 1.50e-05 | M: 127.1042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0072 | Energy: -0.540007 | Delta: 6.25e-03 | M: 24.4886 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0073 | Energy: -0.548012 | Delta: 8.01e-03 | M: 15.3127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0074 | Energy: -0.550994 | Delta: 2.98e-03 | M: 115.8126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0075 | Energy: -0.549733 | Delta: 1.26e-03 | M: 54.0986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -0.548930 | Delta: 8.03e-04 | M: 1569.3704 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0077 | Energy: -0.557313 | Delta: 8.38e-03 | M: 89.5200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0078 | Energy: -0.570625 | Delta: 1.33e-02 | M: 302.7498 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0079 | Energy: -0.569273 | Delta: 1.35e-03 | M: 144.8868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0080 | Energy: -0.570924 | Delta: 1.65e-03 | M: 90.2729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -0.575249 | Delta: 4.33e-03 | M: 296.7206 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0082 | Energy: -0.574026 | Delta: 1.22e-03 | M: 401.6318 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0083 | Energy: -0.575847 | Delta: 1.82e-03 | M: 327.5704 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0084 | Energy: -0.583277 | Delta: 7.43e-03 | M: 311.4874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0085 | Energy: -0.580814 | Delta: 2.46e-03 | M: 336.2508 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -0.589661 | Delta: 8.85e-03 | M: 241.5345 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0087 | Energy: -0.590972 | Delta: 1.31e-03 | M: 361.1043 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0088 | Energy: -0.591397 | Delta: 4.25e-04 | M: 2226.7337 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0089 | Energy: -0.601083 | Delta: 9.69e-03 | M: 696.5687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0090 | Energy: -0.607640 | Delta: 6.56e-03 | M: 464.2265 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -0.605422 | Delta: 2.22e-03 | M: 2268.5694 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0092 | Energy: -0.611042 | Delta: 5.62e-03 | M: 516.0905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0093 | Energy: -0.624251 | Delta: 1.32e-02 | M: 191.0218 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0094 | Energy: -0.631851 | Delta: 7.60e-03 | M: 540.9315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0095 | Energy: -0.643684 | Delta: 1.18e-02 | M: 54.3452 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -0.642758 | Delta: 9.26e-04 | M: 227.7860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0097 | Energy: -0.652467 | Delta: 9.71e-03 | M: 2139.0343 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0098 | Energy: -0.656976 | Delta: 4.51e-03 | M: 2322.1364 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0099 | Energy: -0.674526 | Delta: 1.76e-02 | M: 0.3751 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0100 | Energy: -0.687939 | Delta: 1.34e-02 | M: 390.1812 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -0.683986 | Delta: 3.95e-03 | M: 44.8437 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0102 | Energy: -0.702453 | Delta: 1.85e-02 | M: 118.7248 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0103 | Energy: -0.706883 | Delta: 4.43e-03 | M: 101.1859 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0104 | Energy: -0.709110 | Delta: 2.23e-03 | M: 130.1765 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0105 | Energy: -0.716880 | Delta: 7.77e-03 | M: 137.5844 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -0.717492 | Delta: 6.12e-04 | M: 117.8317 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0107 | Energy: -0.732452 | Delta: 1.50e-02 | M: 421.8409 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0108 | Energy: -0.734334 | Delta: 1.88e-03 | M: 237.7843 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0109 | Energy: -0.738640 | Delta: 4.31e-03 | M: 105.9075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0110 | Energy: -0.749914 | Delta: 1.13e-02 | M: 143.2877 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -0.756341 | Delta: 6.43e-03 | M: 248.0499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0112 | Energy: -0.774493 | Delta: 1.82e-02 | M: 45.7518 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0113 | Energy: -0.785837 | Delta: 1.13e-02 | M: 42.3248 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0114 | Energy: -0.793677 | Delta: 7.84e-03 | M: 59.7323 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0115 | Energy: -0.811167 | Delta: 1.75e-02 | M: 96.9570 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -0.814883 | Delta: 3.72e-03 | M: 121.0898 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0117 | Energy: -0.827185 | Delta: 1.23e-02 | M: 246.9706 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0118 | Energy: -0.826636 | Delta: 5.49e-04 | M: 70.2857 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0119 | Energy: -0.845874 | Delta: 1.92e-02 | M: 147.1003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0120 | Energy: -0.852801 | Delta: 6.93e-03 | M: 34.2310 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -0.862108 | Delta: 9.31e-03 | M: 78.8266 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0122 | Energy: -0.865461 | Delta: 3.35e-03 | M: 144.9673 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0123 | Energy: -0.883316 | Delta: 1.79e-02 | M: 1557.3101 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0124 | Energy: -0.884685 | Delta: 1.37e-03 | M: 129.6134 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0125 | Energy: -0.906774 | Delta: 2.21e-02 | M: 73.4726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -0.907567 | Delta: 7.93e-04 | M: 97.1455 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0127 | Energy: -0.923621 | Delta: 1.61e-02 | M: 364.3073 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0128 | Energy: -0.918566 | Delta: 5.05e-03 | M: 125.0224 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0129 | Energy: -0.933789 | Delta: 1.52e-02 | M: 93.8734 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0130 | Energy: -0.932681 | Delta: 1.11e-03 | M: 61.7331 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -0.939305 | Delta: 6.62e-03 | M: 85.5144 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0132 | Energy: -0.952581 | Delta: 1.33e-02 | M: 206.3195 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0133 | Energy: -0.956752 | Delta: 4.17e-03 | M: 432.8533 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0134 | Energy: -0.971182 | Delta: 1.44e-02 | M: 64.2147 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0135 | Energy: -0.976093 | Delta: 4.91e-03 | M: 102.5813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -0.985136 | Delta: 9.04e-03 | M: 75.9220 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0137 | Energy: -0.988102 | Delta: 2.97e-03 | M: 92.4725 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0138 | Energy: -1.007704 | Delta: 1.96e-02 | M: 199.0774 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0139 | Energy: -1.013027 | Delta: 5.32e-03 | M: 82.7003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0140 | Energy: -1.029527 | Delta: 1.65e-02 | M: 29.7075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -1.039300 | Delta: 9.77e-03 | M: 79.5450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0142 | Energy: -1.050669 | Delta: 1.14e-02 | M: 103.5437 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0143 | Energy: -1.060161 | Delta: 9.49e-03 | M: 86.1657 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0144 | Energy: -1.077972 | Delta: 1.78e-02 | M: 311.0440 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0145 | Energy: -1.081470 | Delta: 3.50e-03 | M: 19.2315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -1.090674 | Delta: 9.20e-03 | M: 161.5585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0147 | Energy: -1.103644 | Delta: 1.30e-02 | M: 490.5726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0148 | Energy: -1.123243 | Delta: 1.96e-02 | M: 129.3324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0149 | Energy: -1.137153 | Delta: 1.39e-02 | M: 18.2846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -NOTE: Energy -1.1505 crossed below FCI -1.1373 at iter 150 - HWE ansatz leaving physical sector (expected limitation) -Iter 0150 | Energy: -1.150469 | Delta: 1.33e-02 | M: 251.5458 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -1.143093 | Delta: 7.38e-03 | M: 148.0848 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0152 | Energy: -1.164865 | Delta: 2.18e-02 | M: 2053.0433 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0153 | Energy: -1.176185 | Delta: 1.13e-02 | M: 90.9007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0154 | Energy: -1.194438 | Delta: 1.83e-02 | M: 879.2485 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0155 | Energy: -1.188110 | Delta: 6.33e-03 | M: 188.3314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -1.196242 | Delta: 8.13e-03 | M: 0.8385 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0157 | Energy: -1.203483 | Delta: 7.24e-03 | M: 64.1525 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0158 | Energy: -1.216629 | Delta: 1.31e-02 | M: 95.3779 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0159 | Energy: -1.232879 | Delta: 1.62e-02 | M: 2472.6232 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0160 | Energy: -1.246408 | Delta: 1.35e-02 | M: 0.7312 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -1.245264 | Delta: 1.14e-03 | M: 50.3502 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0162 | Energy: -1.252229 | Delta: 6.97e-03 | M: 0.7874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0163 | Energy: -1.252536 | Delta: 3.07e-04 | M: 0.7509 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0164 | Energy: -1.257031 | Delta: 4.50e-03 | M: 53.3542 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0165 | Energy: -1.261565 | Delta: 4.53e-03 | M: 4142.2286 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -1.264501 | Delta: 2.94e-03 | M: 0.6911 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0167 | Energy: -1.284042 | Delta: 1.95e-02 | M: 39.6562 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0168 | Energy: -1.292514 | Delta: 8.47e-03 | M: 51.9553 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0169 | Energy: -1.304968 | Delta: 1.25e-02 | M: 394.3572 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0170 | Energy: -1.312048 | Delta: 7.08e-03 | M: 1539.1926 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -1.325148 | Delta: 1.31e-02 | M: 0.6675 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0172 | Energy: -1.322627 | Delta: 2.52e-03 | M: 466.4581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0173 | Energy: -1.338047 | Delta: 1.54e-02 | M: 77.9843 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0174 | Energy: -1.349696 | Delta: 1.16e-02 | M: 63.7600 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0175 | Energy: -1.350252 | Delta: 5.56e-04 | M: 48.3581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -1.360269 | Delta: 1.00e-02 | M: 75.2880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0177 | Energy: -1.376067 | Delta: 1.58e-02 | M: 716.4459 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0178 | Energy: -1.393075 | Delta: 1.70e-02 | M: 66.2654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0179 | Energy: -1.398986 | Delta: 5.91e-03 | M: 43.5244 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0180 | Energy: -1.410395 | Delta: 1.14e-02 | M: 33.3223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -1.428907 | Delta: 1.85e-02 | M: 40.8629 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0182 | Energy: -1.431473 | Delta: 2.57e-03 | M: 109.1324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0183 | Energy: -1.440299 | Delta: 8.83e-03 | M: 64.1500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0184 | Energy: -1.444169 | Delta: 3.87e-03 | M: 17.7848 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0185 | Energy: -1.455166 | Delta: 1.10e-02 | M: 40.6361 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -1.459344 | Delta: 4.18e-03 | M: 265.0333 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0187 | Energy: -1.459682 | Delta: 3.38e-04 | M: 62.4793 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0188 | Energy: -1.472817 | Delta: 1.31e-02 | M: 131.3595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0189 | Energy: -1.479830 | Delta: 7.01e-03 | M: 8.5098 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0190 | Energy: -1.477121 | Delta: 2.71e-03 | M: 127.4967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -1.486511 | Delta: 9.39e-03 | M: 17.3027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0192 | Energy: -1.500004 | Delta: 1.35e-02 | M: 48.5036 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0193 | Energy: -1.504101 | Delta: 4.10e-03 | M: 12.4034 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0194 | Energy: -1.503086 | Delta: 1.01e-03 | M: 26.0439 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0195 | Energy: -1.515735 | Delta: 1.26e-02 | M: 35.4337 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -1.523943 | Delta: 8.21e-03 | M: 17.8464 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0197 | Energy: -1.531804 | Delta: 7.86e-03 | M: 41.6501 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0198 | Energy: -1.531041 | Delta: 7.63e-04 | M: 28.7726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0199 | Energy: -1.545755 | Delta: 1.47e-02 | M: 66.5556 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0200 | Energy: -1.558169 | Delta: 1.24e-02 | M: 47.6279 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2/checkpoint_iter_0200.npy. -[VQE] Best physical energy: -1.137153 Ha (error: 0.0001 Ha) at iter 149 -[VQE] Final energy -1.558169 is below FCI - reporting best physical result - -[H2] Ansatz tier:hwe_adaptive -[H2] Corr score: 0.342 -[H2] Best physical energy: -1.137153 Ha -[H2] Reference FCI : -1.137284 Ha -[H2] Absolute error: +0.0001 Ha -[H2] Iterations run: 200 (best at iter 149) -[H2] Wall time: 19.89s (includes QPU queue + RTT) -[H2] Time/iter: 0.10 s -[H2] Source: registry -[H2] Active electrons: 2 -[H2] Estimated qubits: 4 - - ---- RUNNING CHEMISTRY TASK LiH --- -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.446148 | Delta: inf | M: 0.0241 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -0.454823 | Delta: 8.67e-03 | M: 74.9390 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -0.412540 | Delta: 4.23e-02 | M: 12.5668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -0.399932 | Delta: 1.26e-02 | M: 48.0115 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -0.415982 | Delta: 1.60e-02 | M: 8.7687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.413792 | Delta: 2.19e-03 | M: 13.4535 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -0.411301 | Delta: 2.49e-03 | M: 28.4512 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -0.411249 | Delta: 5.21e-05 | M: 10.1000 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -0.412543 | Delta: 1.29e-03 | M: 14.0667 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -0.404811 | Delta: 7.73e-03 | M: 42.3398 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.403208 | Delta: 1.60e-03 | M: 15.9426 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0012 | Energy: -0.428774 | Delta: 2.56e-02 | M: 23.2111 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0013 | Energy: -0.406082 | Delta: 2.27e-02 | M: 19.8880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0014 | Energy: -0.411147 | Delta: 5.06e-03 | M: 14.3214 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0015 | Energy: -0.406957 | Delta: 4.19e-03 | M: 12.5693 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -0.412794 | Delta: 5.84e-03 | M: 10.4880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0017 | Energy: -0.417260 | Delta: 4.47e-03 | M: 18.8805 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0018 | Energy: -0.450204 | Delta: 3.29e-02 | M: 16.5554 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0019 | Energy: -0.447903 | Delta: 2.30e-03 | M: 17.4687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0020 | Energy: -0.427132 | Delta: 2.08e-02 | M: 8.7592 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -0.441780 | Delta: 1.46e-02 | M: 17.1763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0022 | Energy: -0.439151 | Delta: 2.63e-03 | M: 13.9950 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0023 | Energy: -0.454437 | Delta: 1.53e-02 | M: 11.8507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0024 | Energy: -0.459132 | Delta: 4.70e-03 | M: 14.1360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0025 | Energy: -0.450987 | Delta: 8.14e-03 | M: 14.2860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -0.458987 | Delta: 8.00e-03 | M: 7.6065 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0027 | Energy: -0.466759 | Delta: 7.77e-03 | M: 15.9604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0028 | Energy: -0.457552 | Delta: 9.21e-03 | M: 11.0773 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0029 | Energy: -0.482201 | Delta: 2.46e-02 | M: 12.7160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0030 | Energy: -0.482023 | Delta: 1.78e-04 | M: 16.3351 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -0.557966 | Delta: 7.59e-02 | M: 12.2351 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0032 | Energy: -0.587280 | Delta: 2.93e-02 | M: 11.6383 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0033 | Energy: -0.602909 | Delta: 1.56e-02 | M: 21.9720 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0034 | Energy: -0.604303 | Delta: 1.39e-03 | M: 16.8197 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0035 | Energy: -0.608470 | Delta: 4.17e-03 | M: 35.0442 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -0.603876 | Delta: 4.59e-03 | M: 40.5896 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0037 | Energy: -0.598694 | Delta: 5.18e-03 | M: 21.3101 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0038 | Energy: -0.624113 | Delta: 2.54e-02 | M: 8.3761 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0039 | Energy: -0.664522 | Delta: 4.04e-02 | M: 65.4040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0040 | Energy: -0.657312 | Delta: 7.21e-03 | M: 9.6933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -0.661108 | Delta: 3.80e-03 | M: 14.4443 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0042 | Energy: -0.665507 | Delta: 4.40e-03 | M: 32.6835 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0043 | Energy: -0.690731 | Delta: 2.52e-02 | M: 85.9016 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0044 | Energy: -0.703530 | Delta: 1.28e-02 | M: 18.3963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0045 | Energy: -0.731756 | Delta: 2.82e-02 | M: 22.2668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -0.754687 | Delta: 2.29e-02 | M: 2793.0104 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0047 | Energy: -0.777216 | Delta: 2.25e-02 | M: 10.7605 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0048 | Energy: -0.870031 | Delta: 9.28e-02 | M: 19.5360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0049 | Energy: -0.893982 | Delta: 2.40e-02 | M: 2912.1031 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0050 | Energy: -0.959624 | Delta: 6.56e-02 | M: 11.2887 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -0.981075 | Delta: 2.15e-02 | M: 1396.3870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0052 | Energy: -0.979279 | Delta: 1.80e-03 | M: 34.3530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0053 | Energy: -0.979249 | Delta: 2.99e-05 | M: 14.5617 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0054 | Energy: -0.984459 | Delta: 5.21e-03 | M: 2560.1937 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0055 | Energy: -0.971795 | Delta: 1.27e-02 | M: 2827.5466 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -1.110052 | Delta: 1.38e-01 | M: 25.4046 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0057 | Energy: -1.129452 | Delta: 1.94e-02 | M: 15.5050 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0058 | Energy: -1.162319 | Delta: 3.29e-02 | M: 91.8474 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0059 | Energy: -1.183668 | Delta: 2.13e-02 | M: 13.1298 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0060 | Energy: -1.191993 | Delta: 8.33e-03 | M: 2444.8513 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -1.205678 | Delta: 1.37e-02 | M: 20.1961 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0062 | Energy: -1.215614 | Delta: 9.94e-03 | M: 40.1176 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0063 | Energy: -1.225177 | Delta: 9.56e-03 | M: 32.8671 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0064 | Energy: -1.231903 | Delta: 6.73e-03 | M: 22.6238 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0065 | Energy: -1.232243 | Delta: 3.41e-04 | M: 40.0961 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -1.257822 | Delta: 2.56e-02 | M: 12.3248 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0067 | Energy: -1.329086 | Delta: 7.13e-02 | M: 55.3668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0068 | Energy: -1.372991 | Delta: 4.39e-02 | M: 28.9358 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0069 | Energy: -1.380666 | Delta: 7.68e-03 | M: 13.6982 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0070 | Energy: -1.419720 | Delta: 3.91e-02 | M: 0.9158 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -1.402267 | Delta: 1.75e-02 | M: 98.6604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0072 | Energy: -1.450290 | Delta: 4.80e-02 | M: 90.6932 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0073 | Energy: -1.464082 | Delta: 1.38e-02 | M: 54.2497 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0074 | Energy: -1.475274 | Delta: 1.12e-02 | M: 2809.1191 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0075 | Energy: -1.481733 | Delta: 6.46e-03 | M: 17.5763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -1.480686 | Delta: 1.05e-03 | M: 85.1185 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0077 | Energy: -1.485331 | Delta: 4.64e-03 | M: 52.6008 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0078 | Energy: -1.682273 | Delta: 1.97e-01 | M: 17.3810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0079 | Energy: -1.736547 | Delta: 5.43e-02 | M: 0.9422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0080 | Energy: -1.964160 | Delta: 2.28e-01 | M: 85.5967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -2.030033 | Delta: 6.59e-02 | M: 0.8110 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0082 | Energy: -2.112504 | Delta: 8.25e-02 | M: 16.1810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0083 | Energy: -2.126721 | Delta: 1.42e-02 | M: 22.8726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0084 | Energy: -2.171808 | Delta: 4.51e-02 | M: 10.7451 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0085 | Energy: -2.183595 | Delta: 1.18e-02 | M: 83.0575 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -2.167585 | Delta: 1.60e-02 | M: 212.1764 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0087 | Energy: -2.330092 | Delta: 1.63e-01 | M: 10.9974 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0088 | Energy: -2.368421 | Delta: 3.83e-02 | M: 0.8802 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0089 | Energy: -2.372634 | Delta: 4.21e-03 | M: 26.2886 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0090 | Energy: -2.473957 | Delta: 1.01e-01 | M: 20.7462 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -2.480521 | Delta: 6.56e-03 | M: 13.0762 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0092 | Energy: -2.631579 | Delta: 1.51e-01 | M: 19.5626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0093 | Energy: -2.628681 | Delta: 2.90e-03 | M: 13.7400 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0094 | Energy: -2.714545 | Delta: 8.59e-02 | M: 28.2615 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0095 | Energy: -2.724040 | Delta: 9.49e-03 | M: 0.8488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -2.718926 | Delta: 5.11e-03 | M: 11.4629 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0097 | Energy: -2.743565 | Delta: 2.46e-02 | M: 18.6199 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0098 | Energy: -2.859181 | Delta: 1.16e-01 | M: 27.5060 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0099 | Energy: -2.843596 | Delta: 1.56e-02 | M: 29.5205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0100 | Energy: -2.894019 | Delta: 5.04e-02 | M: 14.7525 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -2.896094 | Delta: 2.07e-03 | M: 13.3223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0102 | Energy: -2.947467 | Delta: 5.14e-02 | M: 17.8379 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0103 | Energy: -2.975088 | Delta: 2.76e-02 | M: 2607.6023 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0104 | Energy: -2.986883 | Delta: 1.18e-02 | M: 33.3290 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0105 | Energy: -2.997162 | Delta: 1.03e-02 | M: 33.4507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -3.095958 | Delta: 9.88e-02 | M: 12.7548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0107 | Energy: -3.180577 | Delta: 8.46e-02 | M: 34.3961 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0108 | Energy: -3.188644 | Delta: 8.07e-03 | M: 17.5581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0109 | Energy: -3.172584 | Delta: 1.61e-02 | M: 2658.5097 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0110 | Energy: -3.193177 | Delta: 2.06e-02 | M: 32.8175 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -3.191055 | Delta: 2.12e-03 | M: 20.7275 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0112 | Energy: -3.198627 | Delta: 7.57e-03 | M: 93.9678 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0113 | Energy: -3.202927 | Delta: 4.30e-03 | M: 12.0761 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0114 | Energy: -3.248558 | Delta: 4.56e-02 | M: 15.5702 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0115 | Energy: -3.288243 | Delta: 3.97e-02 | M: 31.1463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -3.422236 | Delta: 1.34e-01 | M: 20.7187 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0117 | Energy: -3.506297 | Delta: 8.41e-02 | M: 16.0062 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0118 | Energy: -3.489467 | Delta: 1.68e-02 | M: 10.1392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0119 | Energy: -3.501259 | Delta: 1.18e-02 | M: 2174.3507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0120 | Energy: -3.485738 | Delta: 1.55e-02 | M: 16.9345 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -3.746870 | Delta: 2.61e-01 | M: 28.4752 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0122 | Energy: -3.745760 | Delta: 1.11e-03 | M: 17.6272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0123 | Energy: -3.744025 | Delta: 1.73e-03 | M: 27.0665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0124 | Energy: -3.792083 | Delta: 4.81e-02 | M: 18.0332 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0125 | Energy: -3.782375 | Delta: 9.71e-03 | M: 13.4239 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -3.788659 | Delta: 6.28e-03 | M: 15.9927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0127 | Energy: -3.803246 | Delta: 1.46e-02 | M: 18.0976 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0128 | Energy: -3.819132 | Delta: 1.59e-02 | M: 17.8918 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0129 | Energy: -3.922666 | Delta: 1.04e-01 | M: 13.0401 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0130 | Energy: -3.937333 | Delta: 1.47e-02 | M: 31.9969 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -4.060606 | Delta: 1.23e-01 | M: 14.1071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0132 | Energy: -4.099834 | Delta: 3.92e-02 | M: 60.9516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0133 | Energy: -4.100946 | Delta: 1.11e-03 | M: 18.1148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0134 | Energy: -4.221305 | Delta: 1.20e-01 | M: 21.5262 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0135 | Energy: -4.228292 | Delta: 6.99e-03 | M: 16.6258 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -4.239599 | Delta: 1.13e-02 | M: 48.8654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0137 | Energy: -4.235141 | Delta: 4.46e-03 | M: 14.4941 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0138 | Energy: -4.290432 | Delta: 5.53e-02 | M: 18.0810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0139 | Energy: -4.301623 | Delta: 1.12e-02 | M: 21.6335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0140 | Energy: -4.305933 | Delta: 4.31e-03 | M: 32.6752 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -4.354837 | Delta: 4.89e-02 | M: 94.8216 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0142 | Energy: -4.351094 | Delta: 3.74e-03 | M: 24.7335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0143 | Energy: -4.326112 | Delta: 2.50e-02 | M: 2405.2394 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0144 | Energy: -4.475066 | Delta: 1.49e-01 | M: 2660.6808 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0145 | Energy: -4.456953 | Delta: 1.81e-02 | M: 28.7953 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -4.544984 | Delta: 8.80e-02 | M: 27.0687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0147 | Energy: -4.543223 | Delta: 1.76e-03 | M: 49.2922 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0148 | Energy: -4.535145 | Delta: 8.08e-03 | M: 8.1694 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0149 | Energy: -4.768158 | Delta: 2.33e-01 | M: 2.5078 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0150 | Energy: -4.838036 | Delta: 6.99e-02 | M: 14.6983 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -4.876817 | Delta: 3.88e-02 | M: 3.5846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0152 | Energy: -4.873427 | Delta: 3.39e-03 | M: 3.7549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0153 | Energy: -4.884880 | Delta: 1.15e-02 | M: 2675.4064 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0154 | Energy: -4.882499 | Delta: 2.38e-03 | M: 4.0363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0155 | Energy: -4.900159 | Delta: 1.77e-02 | M: 2.7850 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -4.910924 | Delta: 1.08e-02 | M: 5.6071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0157 | Energy: -4.913541 | Delta: 2.62e-03 | M: 8.1409 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0158 | Energy: -4.927318 | Delta: 1.38e-02 | M: 3449.3423 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0159 | Energy: -4.926725 | Delta: 5.93e-04 | M: 10.4141 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0160 | Energy: -4.936224 | Delta: 9.50e-03 | M: 17.4936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -4.940002 | Delta: 3.78e-03 | M: 16.7223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0162 | Energy: -4.938023 | Delta: 1.98e-03 | M: 19.9841 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0163 | Energy: -4.942662 | Delta: 4.64e-03 | M: 19.1324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0164 | Energy: -4.944193 | Delta: 1.53e-03 | M: 2687.1782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0165 | Energy: -4.948424 | Delta: 4.23e-03 | M: 10.7505 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -4.954214 | Delta: 5.79e-03 | M: 18.3146 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0167 | Energy: -4.966257 | Delta: 1.20e-02 | M: 2865.2907 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0168 | Energy: -4.972938 | Delta: 6.68e-03 | M: 25.7976 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0169 | Energy: -4.995576 | Delta: 2.26e-02 | M: 21.2731 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0170 | Energy: -5.037604 | Delta: 4.20e-02 | M: 26.7767 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -5.050359 | Delta: 1.28e-02 | M: 10.5485 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0172 | Energy: -5.080438 | Delta: 3.01e-02 | M: 23.0397 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0173 | Energy: -5.070135 | Delta: 1.03e-02 | M: 43.8665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0174 | Energy: -5.137062 | Delta: 6.69e-02 | M: 11.2680 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0175 | Energy: -5.138423 | Delta: 1.36e-03 | M: 2859.3667 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -5.125132 | Delta: 1.33e-02 | M: 42.3488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0177 | Energy: -5.219422 | Delta: 9.43e-02 | M: 11.3724 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0178 | Energy: -5.230939 | Delta: 1.15e-02 | M: 27.8508 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0179 | Energy: -5.283689 | Delta: 5.28e-02 | M: 40.3923 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0180 | Energy: -5.283985 | Delta: 2.96e-04 | M: 8.3122 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -5.278032 | Delta: 5.95e-03 | M: 13.9233 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0182 | Energy: -5.281685 | Delta: 3.65e-03 | M: 20.4913 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0183 | Energy: -5.287202 | Delta: 5.52e-03 | M: 28.3580 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0184 | Energy: -5.280846 | Delta: 6.36e-03 | M: 29.3790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0185 | Energy: -5.318019 | Delta: 3.72e-02 | M: 15.4533 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -5.332629 | Delta: 1.46e-02 | M: 19.9112 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0187 | Energy: -5.364259 | Delta: 3.16e-02 | M: 20.5222 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0188 | Energy: -5.373188 | Delta: 8.93e-03 | M: 45.3948 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0189 | Energy: -5.384194 | Delta: 1.10e-02 | M: 23.3746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0190 | Energy: -5.379101 | Delta: 5.09e-03 | M: 33.1166 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -5.421126 | Delta: 4.20e-02 | M: 31.0784 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0192 | Energy: -5.420489 | Delta: 6.37e-04 | M: 24.0239 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0193 | Energy: -5.407259 | Delta: 1.32e-02 | M: 34.2449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0194 | Energy: -5.470545 | Delta: 6.33e-02 | M: 38.3138 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0195 | Energy: -5.471179 | Delta: 6.34e-04 | M: 45.8203 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -5.474182 | Delta: 3.00e-03 | M: 14.3745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0197 | Energy: -5.482907 | Delta: 8.73e-03 | M: 16.7604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0198 | Energy: -5.473910 | Delta: 9.00e-03 | M: 16.0244 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0199 | Energy: -5.523459 | Delta: 4.95e-02 | M: 55.5296 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0200 | Energy: -5.529877 | Delta: 6.42e-03 | M: 15.4447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -5.546909 | Delta: 1.70e-02 | M: 32.3690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0202 | Energy: -5.577300 | Delta: 3.04e-02 | M: 30.6071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0203 | Energy: -5.581528 | Delta: 4.23e-03 | M: 17.8817 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0204 | Energy: -5.586820 | Delta: 5.29e-03 | M: 84.0732 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0205 | Energy: -5.596099 | Delta: 9.28e-03 | M: 103.8542 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -5.600447 | Delta: 4.35e-03 | M: 0.8344 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0207 | Energy: -5.583261 | Delta: 1.72e-02 | M: 2663.7925 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0208 | Energy: -5.600096 | Delta: 1.68e-02 | M: 2959.7471 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0209 | Energy: -5.611354 | Delta: 1.13e-02 | M: 66.6800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0210 | Energy: -5.613835 | Delta: 2.48e-03 | M: 2715.9790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -5.626649 | Delta: 1.28e-02 | M: 55.6239 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0212 | Energy: -5.620959 | Delta: 5.69e-03 | M: 2178.3504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0213 | Energy: -5.622353 | Delta: 1.39e-03 | M: 83.3687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0214 | Energy: -5.621677 | Delta: 6.75e-04 | M: 60.9051 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0215 | Energy: -5.633121 | Delta: 1.14e-02 | M: 77.0698 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -5.622068 | Delta: 1.11e-02 | M: 77.2335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0217 | Energy: -5.656028 | Delta: 3.40e-02 | M: 0.9316 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0218 | Energy: -5.655365 | Delta: 6.63e-04 | M: 2686.4273 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0219 | Energy: -5.665520 | Delta: 1.02e-02 | M: 0.9011 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0220 | Energy: -5.674413 | Delta: 8.89e-03 | M: 52.0806 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -5.664063 | Delta: 1.04e-02 | M: 2231.8519 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0222 | Energy: -5.662883 | Delta: 1.18e-03 | M: 84.2129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0223 | Energy: -5.678422 | Delta: 1.55e-02 | M: 82.0789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0224 | Energy: -5.693653 | Delta: 1.52e-02 | M: 2603.5692 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0225 | Energy: -5.691571 | Delta: 2.08e-03 | M: 2912.7582 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -5.700479 | Delta: 8.91e-03 | M: 82.8479 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0227 | Energy: -5.706295 | Delta: 5.82e-03 | M: 0.9980 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0228 | Energy: -5.703437 | Delta: 2.86e-03 | M: 5013.3020 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0229 | Energy: -5.700048 | Delta: 3.39e-03 | M: 12.8379 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0230 | Energy: -5.712282 | Delta: 1.22e-02 | M: 2798.0669 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -5.721964 | Delta: 9.68e-03 | M: 2757.5262 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0232 | Energy: -5.714449 | Delta: 7.51e-03 | M: 77.0783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0233 | Energy: -5.732729 | Delta: 1.83e-02 | M: 2695.6787 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0234 | Energy: -5.729304 | Delta: 3.43e-03 | M: 0.9332 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0235 | Energy: -5.750416 | Delta: 2.11e-02 | M: 88.7061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -5.754593 | Delta: 4.18e-03 | M: 2921.3421 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0237 | Energy: -5.766786 | Delta: 1.22e-02 | M: 2896.9595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0238 | Energy: -5.770172 | Delta: 3.39e-03 | M: 76.1631 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0239 | Energy: -5.762608 | Delta: 7.56e-03 | M: 2800.1750 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0240 | Energy: -5.777885 | Delta: 1.53e-02 | M: 73.1746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -5.764145 | Delta: 1.37e-02 | M: 2599.6964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0242 | Energy: -5.768375 | Delta: 4.23e-03 | M: 0.8635 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0243 | Energy: -5.775496 | Delta: 7.12e-03 | M: 1772.1441 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0244 | Energy: -5.776934 | Delta: 1.44e-03 | M: 2432.9810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0245 | Energy: -5.793898 | Delta: 1.70e-02 | M: 77.3884 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -5.777757 | Delta: 1.61e-02 | M: 81.7626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0247 | Energy: -5.799084 | Delta: 2.13e-02 | M: 78.6876 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0248 | Energy: -5.809291 | Delta: 1.02e-02 | M: 80.8715 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0249 | Energy: -5.818074 | Delta: 8.78e-03 | M: 2639.8463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0250 | Energy: -5.820431 | Delta: 2.36e-03 | M: 2753.2967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -5.821632 | Delta: 1.20e-03 | M: 77.9750 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0252 | Energy: -5.820604 | Delta: 1.03e-03 | M: 52.9802 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0253 | Energy: -5.808837 | Delta: 1.18e-02 | M: 79.7328 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0254 | Energy: -5.824721 | Delta: 1.59e-02 | M: 2719.8499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0255 | Energy: -5.825852 | Delta: 1.13e-03 | M: 2957.8703 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -5.824979 | Delta: 8.73e-04 | M: 2804.0985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0257 | Energy: -5.850935 | Delta: 2.60e-02 | M: 2778.3268 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0258 | Energy: -5.837780 | Delta: 1.32e-02 | M: 2933.3435 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0259 | Energy: -5.839629 | Delta: 1.85e-03 | M: 2753.2842 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0260 | Energy: -5.859488 | Delta: 1.99e-02 | M: 2871.1306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -5.846457 | Delta: 1.30e-02 | M: 76.8712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0262 | Energy: -5.851985 | Delta: 5.53e-03 | M: 2789.0454 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0263 | Energy: -5.852861 | Delta: 8.76e-04 | M: 2895.4070 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0264 | Energy: -5.859556 | Delta: 6.69e-03 | M: 2659.0436 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0265 | Energy: -5.864054 | Delta: 4.50e-03 | M: 2588.3653 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -5.868333 | Delta: 4.28e-03 | M: 2803.4729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0267 | Energy: -5.879946 | Delta: 1.16e-02 | M: 2868.3676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0268 | Energy: -5.882830 | Delta: 2.88e-03 | M: 82.6143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0269 | Energy: -5.883697 | Delta: 8.67e-04 | M: 2418.1165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0270 | Energy: -5.888566 | Delta: 4.87e-03 | M: 2675.9668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -5.883002 | Delta: 5.56e-03 | M: 79.7872 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0272 | Energy: -5.886348 | Delta: 3.35e-03 | M: 2827.9846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0273 | Energy: -5.895176 | Delta: 8.83e-03 | M: 43.9832 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0274 | Energy: -5.905040 | Delta: 9.86e-03 | M: 17.7748 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0275 | Energy: -5.909473 | Delta: 4.43e-03 | M: 2792.7716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -5.915604 | Delta: 6.13e-03 | M: 43.3159 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0277 | Energy: -5.922484 | Delta: 6.88e-03 | M: 74.2363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0278 | Energy: -5.927470 | Delta: 4.99e-03 | M: 86.0022 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0279 | Energy: -5.941403 | Delta: 1.39e-02 | M: 2609.3722 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0280 | Energy: -5.947921 | Delta: 6.52e-03 | M: 77.8489 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -5.943044 | Delta: 4.88e-03 | M: 58.7832 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0282 | Energy: -5.940184 | Delta: 2.86e-03 | M: 2782.6272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0283 | Energy: -5.945530 | Delta: 5.35e-03 | M: 67.3271 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0284 | Energy: -5.958782 | Delta: 1.33e-02 | M: 63.6253 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0285 | Energy: -5.958055 | Delta: 7.27e-04 | M: 2105.3986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -5.952825 | Delta: 5.23e-03 | M: 23.7887 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0287 | Energy: -5.957638 | Delta: 4.81e-03 | M: 2852.3203 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0288 | Energy: -5.957104 | Delta: 5.35e-04 | M: 64.9602 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0289 | Energy: -5.967000 | Delta: 9.90e-03 | M: 2764.9324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0290 | Energy: -5.968769 | Delta: 1.77e-03 | M: 88.4229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -5.972732 | Delta: 3.96e-03 | M: 2184.2788 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0292 | Energy: -5.986022 | Delta: 1.33e-02 | M: 65.9845 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0293 | Energy: -5.990378 | Delta: 4.36e-03 | M: 2663.9455 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0294 | Energy: -6.013730 | Delta: 2.34e-02 | M: 2731.3223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0295 | Energy: -6.017535 | Delta: 3.81e-03 | M: 2902.2098 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -6.017124 | Delta: 4.10e-04 | M: 3014.4269 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0297 | Energy: -6.025405 | Delta: 8.28e-03 | M: 62.7868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0298 | Energy: -6.024988 | Delta: 4.18e-04 | M: 2856.9118 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0299 | Energy: -6.035145 | Delta: 1.02e-02 | M: 77.2486 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0300 | Energy: -6.037808 | Delta: 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| Delta: 1.50e-03 | M: 75.4449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0308 | Energy: -6.076829 | Delta: 2.08e-02 | M: 2647.0271 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0309 | Energy: -6.073327 | Delta: 3.50e-03 | M: 80.2672 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0310 | Energy: -6.074165 | Delta: 8.38e-04 | M: 2687.2900 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -6.073136 | Delta: 1.03e-03 | M: 79.8864 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0312 | Energy: -6.096348 | Delta: 2.32e-02 | M: 54.9796 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0313 | Energy: -6.086960 | Delta: 9.39e-03 | M: 2869.1504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0314 | Energy: -6.089330 | Delta: 2.37e-03 | M: 2748.7677 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0315 | Energy: 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Energy: -6.122013 | Delta: 1.32e-02 | M: 16.2584 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0323 | Energy: -6.106115 | Delta: 1.59e-02 | M: 2696.1957 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0324 | Energy: -6.114496 | Delta: 8.38e-03 | M: 2457.8781 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0325 | Energy: -6.107709 | Delta: 6.79e-03 | M: 2985.9039 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -6.116728 | Delta: 9.02e-03 | M: 2794.9705 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0327 | Energy: -6.119236 | Delta: 2.51e-03 | M: 2647.8553 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0328 | Energy: -6.119419 | Delta: 1.82e-04 | M: 84.8355 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0329 | Energy: -6.143002 | Delta: 2.36e-02 | M: 87.4066 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0330 | Energy: -6.148907 | Delta: 5.91e-03 | M: 2897.2715 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -6.146264 | Delta: 2.64e-03 | M: 2711.3987 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0332 | Energy: -6.167764 | Delta: 2.15e-02 | M: 2721.5554 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0333 | Energy: -6.147947 | Delta: 1.98e-02 | M: 81.4370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0334 | Energy: -6.155467 | Delta: 7.52e-03 | M: 2810.9321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0335 | Energy: -6.159207 | Delta: 3.74e-03 | M: 2797.1747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -6.174053 | Delta: 1.48e-02 | M: 77.6473 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0337 | Energy: -6.155622 | Delta: 1.84e-02 | M: 16.1548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0338 | Energy: -6.163224 | Delta: 7.60e-03 | M: 33.2689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0339 | Energy: -6.174251 | Delta: 1.10e-02 | M: 2835.1644 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0340 | Energy: -6.172586 | Delta: 1.66e-03 | M: 0.9316 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -6.180197 | Delta: 7.61e-03 | M: 47.1624 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0342 | Energy: -6.186063 | Delta: 5.87e-03 | M: 9.9528 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0343 | Energy: -6.190131 | Delta: 4.07e-03 | M: 99.9075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0344 | Energy: -6.195875 | Delta: 5.74e-03 | M: 30.0916 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0345 | Energy: -6.179585 | Delta: 1.63e-02 | M: 24.8076 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -6.183807 | Delta: 4.22e-03 | M: 8.9701 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0347 | Energy: -6.200620 | Delta: 1.68e-02 | M: 22.7394 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0348 | Energy: -6.191247 | Delta: 9.37e-03 | M: 21.5825 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0349 | Energy: -6.211073 | Delta: 1.98e-02 | M: 2795.8985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0350 | Energy: -6.223616 | Delta: 1.25e-02 | M: 19.6121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -6.224344 | Delta: 7.28e-04 | M: 9.4713 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0352 | Energy: -6.222904 | Delta: 1.44e-03 | M: 28.1628 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0353 | Energy: -6.232240 | Delta: 9.34e-03 | M: 78.5559 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0354 | Energy: -6.233028 | Delta: 7.89e-04 | M: 13.4021 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0355 | Energy: -6.237409 | Delta: 4.38e-03 | M: 0.8975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -6.230926 | Delta: 6.48e-03 | M: 92.1637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0357 | Energy: -6.230876 | Delta: 5.03e-05 | M: 23.5834 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0358 | Energy: -6.236682 | Delta: 5.81e-03 | M: 21.9267 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0359 | Energy: -6.246369 | Delta: 9.69e-03 | M: 0.9452 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0360 | Energy: -6.248997 | Delta: 2.63e-03 | M: 18.0126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -6.254491 | Delta: 5.49e-03 | M: 13.8510 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0362 | Energy: -6.254284 | Delta: 2.08e-04 | M: 19.1392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0363 | Energy: -6.254877 | Delta: 5.93e-04 | M: 2709.1009 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0364 | Energy: -6.268333 | Delta: 1.35e-02 | M: 18.4889 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0365 | Energy: -6.251582 | Delta: 1.68e-02 | M: 31.6747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -6.260081 | Delta: 8.50e-03 | M: 27.3149 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0367 | Energy: -6.266808 | Delta: 6.73e-03 | M: 22.5615 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0368 | Energy: -6.269616 | Delta: 2.81e-03 | M: 4886.0042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0369 | Energy: -6.263095 | Delta: 6.52e-03 | M: 10.5806 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0370 | Energy: -6.261879 | Delta: 1.22e-03 | M: 23.2399 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -6.267912 | Delta: 6.03e-03 | M: 24.3416 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0372 | Energy: -6.273930 | Delta: 6.02e-03 | M: 0.8001 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0373 | Energy: -6.287242 | Delta: 1.33e-02 | M: 83.8407 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0374 | Energy: -6.290305 | Delta: 3.06e-03 | M: 22.5429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0375 | Energy: -6.293440 | Delta: 3.13e-03 | M: 55.9661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -6.309700 | Delta: 1.63e-02 | M: 51.0177 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0377 | Energy: -6.299551 | Delta: 1.01e-02 | M: 10.9676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0378 | Energy: -6.302555 | Delta: 3.00e-03 | M: 87.6805 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0379 | Energy: -6.307084 | Delta: 4.53e-03 | M: 45.1837 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0380 | Energy: -6.294818 | Delta: 1.23e-02 | M: 0.9169 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -6.302419 | Delta: 7.60e-03 | M: 23.3934 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0382 | Energy: -6.298722 | Delta: 3.70e-03 | M: 2585.3133 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0383 | Energy: -6.308229 | Delta: 9.51e-03 | M: 22.7969 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0384 | Energy: -6.328575 | Delta: 2.03e-02 | M: 94.6131 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0385 | Energy: -6.317375 | Delta: 1.12e-02 | M: 2503.2178 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -6.324061 | Delta: 6.69e-03 | M: 2663.6295 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0387 | Energy: -6.319380 | Delta: 4.68e-03 | M: 2451.0668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0388 | Energy: -6.320762 | Delta: 1.38e-03 | M: 0.8683 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0389 | Energy: -6.331172 | Delta: 1.04e-02 | M: 34.0743 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0390 | Energy: -6.344123 | Delta: 1.30e-02 | M: 48.4593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -6.348163 | Delta: 4.04e-03 | M: 16.2427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0392 | Energy: -6.355006 | Delta: 6.84e-03 | M: 89.9351 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0393 | Energy: -6.350274 | Delta: 4.73e-03 | M: 2252.2535 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0394 | Energy: -6.349398 | Delta: 8.75e-04 | M: 15.9657 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0395 | Energy: -6.353977 | Delta: 4.58e-03 | M: 2518.9483 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -6.365288 | Delta: 1.13e-02 | M: 18.3382 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0397 | Energy: -6.375590 | Delta: 1.03e-02 | M: 2712.5813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0398 | Energy: -6.395539 | Delta: 1.99e-02 | M: 15.2121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0399 | Energy: -6.385474 | Delta: 1.01e-02 | M: 55.3652 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0400 | Energy: -6.389340 | Delta: 3.87e-03 | M: 2801.0738 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -6.383479 | Delta: 5.86e-03 | M: 2009.7792 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0402 | Energy: -6.402455 | Delta: 1.90e-02 | M: 14.9965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0403 | Energy: -6.406656 | Delta: 4.20e-03 | M: 2789.0379 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0404 | Energy: -6.408629 | Delta: 1.97e-03 | M: 18.6326 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0405 | Energy: -6.402219 | Delta: 6.41e-03 | M: 1682.0780 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -6.421539 | Delta: 1.93e-02 | M: 22.7905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0407 | Energy: -6.421340 | Delta: 1.99e-04 | M: 102.7500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0408 | Energy: -6.425113 | Delta: 3.77e-03 | M: 13.9295 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0409 | Energy: -6.422036 | Delta: 3.08e-03 | M: 27.4296 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0410 | Energy: -6.426384 | Delta: 4.35e-03 | M: 14.6412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -6.425267 | Delta: 1.12e-03 | M: 20.5850 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0412 | Energy: -6.420068 | Delta: 5.20e-03 | M: 55.7413 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0413 | Energy: -6.428541 | Delta: 8.47e-03 | M: 2483.4914 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0414 | Energy: -6.429509 | Delta: 9.68e-04 | M: 11.7739 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0415 | Energy: -6.435482 | Delta: 5.97e-03 | M: 22.4375 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -6.423418 | Delta: 1.21e-02 | M: 12.7006 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0417 | Energy: -6.430232 | Delta: 6.81e-03 | M: 72.4660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0418 | Energy: -6.462587 | Delta: 3.24e-02 | M: 10.4754 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0419 | Energy: -6.458796 | Delta: 3.79e-03 | M: 37.4745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0420 | Energy: -6.457606 | Delta: 1.19e-03 | M: 16.1086 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -6.461017 | Delta: 3.41e-03 | M: 11.3306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0422 | Energy: -6.451910 | Delta: 9.11e-03 | M: 14.4985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0423 | Energy: -6.466956 | Delta: 1.50e-02 | M: 2749.6967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0424 | Energy: -6.482336 | Delta: 1.54e-02 | M: 16.4458 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0425 | Energy: -6.482261 | Delta: 7.48e-05 | M: 16.8843 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -6.477296 | Delta: 4.96e-03 | M: 22.3449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0427 | Energy: -6.490517 | Delta: 1.32e-02 | M: 2665.4427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0428 | Energy: -6.498449 | Delta: 7.93e-03 | M: 17.5678 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0429 | Energy: -6.510867 | Delta: 1.24e-02 | M: 31.6526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0430 | Energy: -6.509265 | Delta: 1.60e-03 | M: 21.8582 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -6.511759 | Delta: 2.49e-03 | M: 2719.6895 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0432 | Energy: -6.511298 | Delta: 4.61e-04 | M: 10.5868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0433 | Energy: -6.529876 | Delta: 1.86e-02 | M: 2747.6420 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0434 | Energy: -6.532056 | Delta: 2.18e-03 | M: 2771.0790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0435 | Energy: -6.540836 | Delta: 8.78e-03 | M: 15.8499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -6.553677 | Delta: 1.28e-02 | M: 89.0378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0437 | Energy: -6.561314 | Delta: 7.64e-03 | M: 17.0232 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0438 | Energy: -6.557389 | Delta: 3.93e-03 | M: 2701.1481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0439 | Energy: -6.563983 | Delta: 6.59e-03 | M: 13.5697 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0440 | Energy: -6.581568 | Delta: 1.76e-02 | M: 19.1658 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -6.580871 | Delta: 6.97e-04 | M: 2875.4995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0442 | Energy: -6.581525 | Delta: 6.54e-04 | M: 84.0763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0443 | Energy: -6.579321 | Delta: 2.20e-03 | M: 44.3877 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0444 | Energy: -6.584311 | Delta: 4.99e-03 | M: 17.5655 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0445 | Energy: -6.584777 | Delta: 4.66e-04 | M: 112.3191 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -6.585951 | Delta: 1.17e-03 | M: 10.8402 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0447 | Energy: -6.594191 | Delta: 8.24e-03 | M: 2831.5061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0448 | Energy: -6.594177 | Delta: 1.36e-05 | M: 2644.7017 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0449 | Energy: -6.600516 | Delta: 6.34e-03 | M: 28.2725 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0450 | Energy: -6.598835 | Delta: 1.68e-03 | M: 19.7051 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -6.604642 | Delta: 5.81e-03 | M: 2589.4942 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0452 | Energy: -6.612785 | Delta: 8.14e-03 | M: 39.5172 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0453 | Energy: -6.605645 | Delta: 7.14e-03 | M: 22.0401 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0454 | Energy: -6.610249 | Delta: 4.60e-03 | M: 28.1729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0455 | Energy: -6.616170 | Delta: 5.92e-03 | M: 22.3710 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -6.612441 | Delta: 3.73e-03 | M: 14.5885 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0457 | Energy: -6.613255 | Delta: 8.15e-04 | M: 21.9645 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0458 | Energy: -6.616190 | Delta: 2.94e-03 | M: 48.0091 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0459 | Energy: -6.617121 | Delta: 9.31e-04 | M: 89.2649 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0460 | Energy: -6.630893 | Delta: 1.38e-02 | M: 2593.7026 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -6.634523 | Delta: 3.63e-03 | M: 25.2835 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0462 | Energy: -6.646007 | Delta: 1.15e-02 | M: 27.4956 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0463 | Energy: -6.649564 | Delta: 3.56e-03 | M: 2880.1397 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0464 | Energy: -6.672805 | Delta: 2.32e-02 | M: 21.3137 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0465 | Energy: -6.695276 | Delta: 2.25e-02 | M: 2719.7165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -6.703759 | Delta: 8.48e-03 | M: 22.6226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0467 | Energy: -6.708601 | Delta: 4.84e-03 | M: 2826.9370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0468 | Energy: -6.719635 | Delta: 1.10e-02 | M: 22.1083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0469 | Energy: -6.719959 | Delta: 3.24e-04 | M: 2647.7797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0470 | Energy: -6.725593 | Delta: 5.63e-03 | M: 2749.4229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -6.724787 | Delta: 8.05e-04 | M: 27.8518 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0472 | Energy: -6.729165 | Delta: 4.38e-03 | M: 2787.4815 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0473 | Energy: -6.738144 | Delta: 8.98e-03 | M: 2741.7905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0474 | Energy: -6.745811 | Delta: 7.67e-03 | M: 1.0095 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0475 | Energy: -6.749374 | Delta: 3.56e-03 | M: 2044.6264 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -6.747242 | Delta: 2.13e-03 | M: 10.3929 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0477 | Energy: -6.754591 | Delta: 7.35e-03 | M: 88.3259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0478 | Energy: -6.762333 | Delta: 7.74e-03 | M: 81.5950 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0479 | Energy: -6.767994 | Delta: 5.66e-03 | M: 18.8946 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0480 | Energy: -6.766217 | Delta: 1.78e-03 | M: 4.5288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -6.775126 | Delta: 8.91e-03 | M: 34.2612 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0482 | Energy: -6.778683 | Delta: 3.56e-03 | M: 9.2466 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0483 | Energy: -6.787515 | Delta: 8.83e-03 | M: 33.4818 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0484 | Energy: -6.800936 | Delta: 1.34e-02 | M: 16.2007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0485 | Energy: -6.808327 | Delta: 7.39e-03 | M: 10.0313 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -6.812538 | Delta: 4.21e-03 | M: 87.0209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0487 | Energy: -6.816809 | Delta: 4.27e-03 | M: 39.3473 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0488 | Energy: -6.822377 | Delta: 5.57e-03 | M: 16.1271 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0489 | Energy: -6.823456 | Delta: 1.08e-03 | M: 2667.6226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0490 | Energy: -6.820634 | Delta: 2.82e-03 | M: 25.2129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -6.832783 | Delta: 1.21e-02 | M: 13.4526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0492 | Energy: -6.842033 | Delta: 9.25e-03 | M: 13.3586 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0493 | Energy: -6.839224 | Delta: 2.81e-03 | M: 0.8636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0494 | Energy: -6.838604 | Delta: 6.21e-04 | M: 31.0998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0495 | Energy: -6.844086 | Delta: 5.48e-03 | M: 12.1488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -6.844699 | Delta: 6.13e-04 | M: 11.0346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0497 | Energy: -6.842672 | Delta: 2.03e-03 | M: 40.4644 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0498 | Energy: -6.845201 | Delta: 2.53e-03 | M: 10.3342 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0499 | Energy: -6.845448 | Delta: 2.48e-04 | M: 0.8886 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0500 | Energy: -6.845982 | Delta: 5.34e-04 | M: 8.8043 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -6.852663 | Delta: 6.68e-03 | M: 14.0920 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0502 | Energy: -6.856181 | Delta: 3.52e-03 | M: 13.0625 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0503 | Energy: -6.849909 | Delta: 6.27e-03 | M: 24.6792 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0504 | Energy: -6.860560 | Delta: 1.07e-02 | M: 2722.4792 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0505 | Energy: -6.860258 | Delta: 3.02e-04 | M: 82.6090 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -6.855166 | Delta: 5.09e-03 | M: 43.7461 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0507 | Energy: -6.861189 | Delta: 6.02e-03 | M: 2698.7283 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0508 | Energy: -6.866465 | Delta: 5.28e-03 | M: 4739.8813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0509 | Energy: -6.870599 | Delta: 4.13e-03 | M: 10.2879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0510 | Energy: -6.866397 | Delta: 4.20e-03 | M: 2864.2517 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -6.875435 | Delta: 9.04e-03 | M: 2413.8793 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0512 | Energy: -6.881585 | Delta: 6.15e-03 | M: 19.9254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0513 | Energy: -6.879223 | Delta: 2.36e-03 | M: 2438.2707 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0514 | Energy: -6.883612 | Delta: 4.39e-03 | M: 0.9620 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0515 | Energy: -6.895793 | Delta: 1.22e-02 | M: 2660.5500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -6.886555 | Delta: 9.24e-03 | M: 2676.7143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0517 | Energy: -6.890611 | Delta: 4.06e-03 | M: 53.4074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0518 | Energy: -6.891681 | Delta: 1.07e-03 | M: 2777.6393 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0519 | Energy: -6.889296 | Delta: 2.38e-03 | M: 2849.2695 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0520 | Energy: -6.892978 | Delta: 3.68e-03 | M: 78.3018 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -6.898061 | Delta: 5.08e-03 | M: 79.1188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0522 | Energy: -6.916504 | Delta: 1.84e-02 | M: 2811.9767 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0523 | Energy: -6.905466 | Delta: 1.10e-02 | M: 2690.3827 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0524 | Energy: -6.906424 | Delta: 9.57e-04 | M: 80.0227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0525 | Energy: -6.907394 | Delta: 9.71e-04 | M: 2099.5087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -6.916665 | Delta: 9.27e-03 | M: 0.9144 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0527 | Energy: -6.917523 | Delta: 8.57e-04 | M: 46.3179 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0528 | Energy: -6.908998 | Delta: 8.52e-03 | M: 2752.8552 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0529 | Energy: -6.914491 | Delta: 5.49e-03 | M: 2862.4389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0530 | Energy: -6.916664 | Delta: 2.17e-03 | M: 80.3378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -6.927452 | Delta: 1.08e-02 | M: 83.8954 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0532 | Energy: -6.919541 | Delta: 7.91e-03 | M: 81.4302 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0533 | Energy: -6.935853 | Delta: 1.63e-02 | M: 85.7465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0534 | Energy: -6.953287 | Delta: 1.74e-02 | M: 1.1042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0535 | Energy: -6.941726 | Delta: 1.16e-02 | M: 39.0222 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -6.948213 | Delta: 6.49e-03 | M: 2793.7584 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0537 | Energy: -6.945929 | Delta: 2.28e-03 | M: 2675.5675 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0538 | Energy: -6.947392 | Delta: 1.46e-03 | M: 2872.8184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0539 | Energy: -6.948486 | Delta: 1.09e-03 | M: 2804.6091 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0540 | Energy: -6.951636 | Delta: 3.15e-03 | M: 2726.5751 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -6.948914 | Delta: 2.72e-03 | M: 2711.1164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0542 | Energy: -6.955701 | Delta: 6.79e-03 | M: 79.7931 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0543 | Energy: -6.961919 | Delta: 6.22e-03 | M: 2720.9734 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0544 | Energy: -6.958309 | Delta: 3.61e-03 | M: 2864.9456 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0545 | Energy: -6.963069 | Delta: 4.76e-03 | M: 2700.1973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -6.952571 | Delta: 1.05e-02 | M: 2618.5757 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0547 | Energy: -6.960563 | Delta: 7.99e-03 | M: 2808.9921 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0548 | Energy: -6.956029 | Delta: 4.53e-03 | M: 2638.3902 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0549 | Energy: -6.966476 | Delta: 1.04e-02 | M: 30.2264 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0550 | Energy: -6.973641 | Delta: 7.16e-03 | M: 2695.6376 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -6.968361 | Delta: 5.28e-03 | M: 78.4405 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0552 | Energy: -6.971859 | Delta: 3.50e-03 | M: 2789.2259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0553 | Energy: -6.972878 | Delta: 1.02e-03 | M: 2900.9992 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0554 | Energy: -6.973177 | Delta: 2.98e-04 | M: 2186.1727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0555 | Energy: -6.977259 | Delta: 4.08e-03 | M: 2835.4421 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -6.985058 | Delta: 7.80e-03 | M: 2545.4377 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0557 | Energy: -6.980802 | Delta: 4.26e-03 | M: 79.4851 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0558 | Energy: -6.984341 | Delta: 3.54e-03 | M: 2681.2498 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0559 | Energy: -6.987208 | Delta: 2.87e-03 | M: 56.8030 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0560 | Energy: -7.000299 | Delta: 1.31e-02 | M: 46.3996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -7.004580 | Delta: 4.28e-03 | M: 19.2333 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0562 | Energy: -7.018489 | Delta: 1.39e-02 | M: 29.7608 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0563 | Energy: -7.012265 | Delta: 6.22e-03 | M: 81.4664 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0564 | Energy: -7.027199 | Delta: 1.49e-02 | M: 50.5515 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0565 | Energy: -7.027532 | Delta: 3.33e-04 | M: 99.0155 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -7.041175 | Delta: 1.36e-02 | M: 99.0277 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0567 | Energy: -7.038091 | Delta: 3.08e-03 | M: 99.9742 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0568 | Energy: -7.031384 | Delta: 6.71e-03 | M: 21.9596 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0569 | Energy: -7.050458 | Delta: 1.91e-02 | M: 102.0999 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0570 | Energy: -7.051601 | Delta: 1.14e-03 | M: 31.8038 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -7.044488 | Delta: 7.11e-03 | M: 27.0964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0572 | Energy: -7.047866 | Delta: 3.38e-03 | M: 15.0003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0573 | Energy: -7.065705 | Delta: 1.78e-02 | M: 20.1298 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0574 | Energy: -7.062107 | Delta: 3.60e-03 | M: 28.7297 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0575 | Energy: -7.071582 | Delta: 9.47e-03 | M: 22.7700 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -7.078645 | Delta: 7.06e-03 | M: 16.9260 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0577 | Energy: -7.087542 | Delta: 8.90e-03 | M: 12.6022 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0578 | Energy: -7.084280 | Delta: 3.26e-03 | M: 22.2779 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0579 | Energy: -7.081295 | Delta: 2.98e-03 | M: 50.3511 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0580 | Energy: -7.086289 | Delta: 4.99e-03 | M: 11.4747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -7.085219 | Delta: 1.07e-03 | M: 20.9960 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0582 | Energy: -7.093812 | Delta: 8.59e-03 | M: 43.6349 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0583 | Energy: -7.095875 | Delta: 2.06e-03 | M: 46.8428 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0584 | Energy: -7.094564 | Delta: 1.31e-03 | M: 98.0882 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0585 | Energy: -7.094630 | Delta: 6.53e-05 | M: 90.7435 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -7.092929 | Delta: 1.70e-03 | M: 12.1949 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0587 | Energy: -7.092625 | Delta: 3.04e-04 | M: 14.2005 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0588 | Energy: -7.099417 | Delta: 6.79e-03 | M: 21.8654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0589 | Energy: -7.103281 | Delta: 3.86e-03 | M: 13.0638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0590 | Energy: -7.107730 | Delta: 4.45e-03 | M: 15.3915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -7.097234 | Delta: 1.05e-02 | M: 35.6398 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0592 | Energy: -7.108838 | Delta: 1.16e-02 | M: 24.6261 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0593 | Energy: -7.107487 | Delta: 1.35e-03 | M: 31.7075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0594 | Energy: -7.121648 | Delta: 1.42e-02 | M: 36.7253 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0595 | Energy: -7.130170 | Delta: 8.52e-03 | M: 29.9328 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -7.123495 | Delta: 6.68e-03 | M: 21.1255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0597 | Energy: -7.132943 | Delta: 9.45e-03 | M: 40.7207 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0598 | Energy: -7.131708 | Delta: 1.24e-03 | M: 36.8940 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0599 | Energy: -7.124063 | Delta: 7.65e-03 | M: 17.5003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0600 | Energy: -7.135310 | Delta: 1.12e-02 | M: 37.5532 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -7.140207 | Delta: 4.90e-03 | M: 52.9385 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0602 | Energy: -7.138451 | Delta: 1.76e-03 | M: 2732.4107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0603 | Energy: -7.140019 | Delta: 1.57e-03 | M: 17.0396 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0604 | Energy: -7.147948 | Delta: 7.93e-03 | M: 47.3662 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0605 | Energy: -7.142566 | Delta: 5.38e-03 | M: 92.9775 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -7.147922 | Delta: 5.36e-03 | M: 24.4179 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0607 | Energy: -7.159681 | Delta: 1.18e-02 | M: 2647.8641 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0608 | Energy: -7.158173 | Delta: 1.51e-03 | M: 1.1002 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0609 | Energy: -7.159448 | Delta: 1.28e-03 | M: 14.4450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0610 | Energy: -7.159202 | Delta: 2.46e-04 | M: 50.8033 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -7.163343 | Delta: 4.14e-03 | M: 24.2830 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0612 | Energy: -7.165585 | Delta: 2.24e-03 | M: 47.6104 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0613 | Energy: -7.164688 | Delta: 8.98e-04 | M: 25.0626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0614 | Energy: -7.168277 | Delta: 3.59e-03 | M: 16.8321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0615 | Energy: -7.169092 | Delta: 8.15e-04 | M: 11.5449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -7.168621 | Delta: 4.71e-04 | M: 53.6431 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0617 | Energy: -7.181047 | Delta: 1.24e-02 | M: 28.7550 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0618 | Energy: -7.182594 | Delta: 1.55e-03 | M: 34.3973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0619 | Energy: -7.177803 | Delta: 4.79e-03 | M: 26.8448 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0620 | Energy: -7.177651 | Delta: 1.52e-04 | M: 19.9432 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -7.177339 | Delta: 3.12e-04 | M: 11.1916 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0622 | Energy: -7.194297 | Delta: 1.70e-02 | M: 35.9973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0623 | Energy: -7.178596 | Delta: 1.57e-02 | M: 28.4689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0624 | Energy: -7.189869 | Delta: 1.13e-02 | M: 24.1160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0625 | Energy: -7.198190 | Delta: 8.32e-03 | M: 17.0451 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -7.201386 | Delta: 3.20e-03 | M: 9.1725 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0627 | Energy: -7.206003 | Delta: 4.62e-03 | M: 18.0636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0628 | Energy: -7.202734 | Delta: 3.27e-03 | M: 12.8687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0629 | Energy: -7.210255 | Delta: 7.52e-03 | M: 18.7354 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0630 | Energy: -7.216812 | Delta: 6.56e-03 | M: 25.6632 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -7.215020 | Delta: 1.79e-03 | M: 1.0121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0632 | Energy: -7.218487 | Delta: 3.47e-03 | M: 51.6022 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0633 | Energy: -7.219029 | Delta: 5.42e-04 | M: 2341.9395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0634 | Energy: -7.222014 | Delta: 2.98e-03 | M: 18.7238 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0635 | Energy: -7.216289 | Delta: 5.72e-03 | M: 17.7189 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -7.223027 | Delta: 6.74e-03 | M: 42.5378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0637 | Energy: -7.228068 | Delta: 5.04e-03 | M: 24.1486 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0638 | Energy: -7.237082 | Delta: 9.01e-03 | M: 22.3990 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0639 | Energy: -7.241951 | Delta: 4.87e-03 | M: 0.9856 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0640 | Energy: -7.237588 | Delta: 4.36e-03 | M: 13.3816 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -7.239860 | Delta: 2.27e-03 | M: 24.9007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0642 | Energy: -7.245512 | Delta: 5.65e-03 | M: 20.1052 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0643 | Energy: -7.248618 | Delta: 3.11e-03 | M: 28.1828 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0644 | Energy: -7.257830 | Delta: 9.21e-03 | M: 34.9162 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0645 | Energy: -7.259538 | Delta: 1.71e-03 | M: 28.3171 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -7.265262 | Delta: 5.72e-03 | M: 87.8493 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0647 | Energy: -7.274535 | Delta: 9.27e-03 | M: 27.2805 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0648 | Energy: -7.282481 | Delta: 7.95e-03 | M: 164.0927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0649 | Energy: -7.277327 | Delta: 5.15e-03 | M: 12.5023 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0650 | Energy: -7.288813 | Delta: 1.15e-02 | M: 12.8591 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -7.296121 | Delta: 7.31e-03 | M: 17.1293 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0652 | Energy: -7.290006 | Delta: 6.12e-03 | M: 27.5702 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0653 | Energy: -7.290109 | Delta: 1.03e-04 | M: 2869.6838 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0654 | Energy: -7.290722 | Delta: 6.14e-04 | M: 19.3999 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0655 | Energy: -7.289100 | Delta: 1.62e-03 | M: 89.7415 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -7.297694 | Delta: 8.59e-03 | M: 19.4840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0657 | Energy: -7.302898 | Delta: 5.20e-03 | M: 19.1820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0658 | Energy: -7.299302 | Delta: 3.60e-03 | M: 1.1162 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0659 | Energy: -7.308821 | Delta: 9.52e-03 | M: 25.4317 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0660 | Energy: -7.306236 | Delta: 2.58e-03 | M: 11.6198 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -7.311484 | Delta: 5.25e-03 | M: 86.4192 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0662 | Energy: -7.311670 | Delta: 1.86e-04 | M: 23.2632 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0663 | Energy: -7.315005 | Delta: 3.33e-03 | M: 91.3845 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0664 | Energy: -7.313118 | Delta: 1.89e-03 | M: 26.7826 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0665 | Energy: -7.318463 | Delta: 5.34e-03 | M: 15.8521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -7.318675 | Delta: 2.12e-04 | M: 15.8108 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0667 | Energy: -7.321627 | Delta: 2.95e-03 | M: 24.5447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0668 | Energy: -7.325431 | Delta: 3.80e-03 | M: 51.1314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0669 | Energy: -7.321620 | Delta: 3.81e-03 | M: 11.4637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0670 | Energy: -7.324387 | Delta: 2.77e-03 | M: 15.1903 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -7.328259 | Delta: 3.87e-03 | M: 12.2002 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0672 | Energy: -7.330933 | Delta: 2.67e-03 | M: 1.0309 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0673 | Energy: -7.332038 | Delta: 1.11e-03 | M: 99.1039 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0674 | Energy: -7.329763 | Delta: 2.27e-03 | M: 11.6906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0675 | Energy: -7.327470 | Delta: 2.29e-03 | M: 19.3423 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -7.332742 | Delta: 5.27e-03 | M: 60.2449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0677 | Energy: -7.344334 | Delta: 1.16e-02 | M: 11.8218 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0678 | Energy: -7.336721 | Delta: 7.61e-03 | M: 48.1613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0679 | Energy: -7.333804 | Delta: 2.92e-03 | M: 12.9416 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0680 | Energy: -7.334922 | Delta: 1.12e-03 | M: 0.9736 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -7.332147 | Delta: 2.78e-03 | M: 14.1854 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0682 | Energy: -7.344218 | Delta: 1.21e-02 | M: 12.8547 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0683 | Energy: -7.337618 | Delta: 6.60e-03 | M: 17.1665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0684 | Energy: -7.353905 | Delta: 1.63e-02 | M: 12.6173 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0685 | Energy: -7.361760 | Delta: 7.85e-03 | M: 77.6338 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -7.362798 | Delta: 1.04e-03 | M: 14.8378 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0687 | Energy: -7.369098 | Delta: 6.30e-03 | M: 98.7754 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0688 | Energy: -7.364502 | Delta: 4.60e-03 | M: 11.4812 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0689 | Energy: -7.364565 | Delta: 6.30e-05 | M: 31.0945 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0690 | Energy: -7.373458 | Delta: 8.89e-03 | M: 12.1395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -7.385472 | Delta: 1.20e-02 | M: 26.8771 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0692 | Energy: -7.385379 | Delta: 9.28e-05 | M: 26.3902 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0693 | Energy: -7.385265 | Delta: 1.13e-04 | M: 55.2950 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0694 | Energy: -7.384269 | Delta: 9.96e-04 | M: 9.2862 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0695 | Energy: -7.393130 | Delta: 8.86e-03 | M: 30.0660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -7.385167 | Delta: 7.96e-03 | M: 11.4460 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0697 | Energy: -7.389580 | Delta: 4.41e-03 | M: 27.5477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0698 | Energy: -7.391711 | Delta: 2.13e-03 | M: 14.8689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0699 | Energy: -7.389277 | Delta: 2.43e-03 | M: 44.7607 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0700 | Energy: -7.398255 | Delta: 8.98e-03 | M: 17.3356 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -7.397075 | Delta: 1.18e-03 | M: 28.3681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0702 | Energy: -7.397762 | Delta: 6.87e-04 | M: 13.5506 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0703 | Energy: -7.405564 | Delta: 7.80e-03 | M: 22.3163 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0704 | Energy: -7.399551 | Delta: 6.01e-03 | M: 2901.1337 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0705 | Energy: -7.406111 | Delta: 6.56e-03 | M: 28.8055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -7.409603 | Delta: 3.49e-03 | M: 24.7742 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0707 | Energy: -7.411036 | Delta: 1.43e-03 | M: 28.9223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0708 | Energy: -7.405982 | Delta: 5.05e-03 | M: 14.5483 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0709 | Energy: -7.414023 | Delta: 8.04e-03 | M: 20.5510 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0710 | Energy: -7.417042 | Delta: 3.02e-03 | M: 29.8373 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -7.419296 | Delta: 2.25e-03 | M: 14.1909 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0712 | Energy: -7.419255 | Delta: 4.04e-05 | M: 2959.3975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0713 | Energy: -7.420547 | Delta: 1.29e-03 | M: 16.6959 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0714 | Energy: -7.420212 | Delta: 3.35e-04 | M: 23.3661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0715 | Energy: -7.420131 | Delta: 8.07e-05 | M: 2923.2237 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -7.424852 | Delta: 4.72e-03 | M: 28.7832 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0717 | Energy: -7.425227 | Delta: 3.75e-04 | M: 32.3042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0718 | Energy: -7.434022 | Delta: 8.80e-03 | M: 26.4845 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0719 | Energy: -7.434309 | Delta: 2.87e-04 | M: 22.4422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0720 | Energy: -7.435402 | Delta: 1.09e-03 | M: 16.9841 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -7.439678 | Delta: 4.28e-03 | M: 54.5030 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0722 | Energy: -7.434919 | Delta: 4.76e-03 | M: 19.9001 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0723 | Energy: -7.442126 | Delta: 7.21e-03 | M: 2948.5530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0724 | Energy: -7.440008 | Delta: 2.12e-03 | M: 13.4914 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0725 | Energy: -7.435974 | Delta: 4.03e-03 | M: 20.6590 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -7.443323 | Delta: 7.35e-03 | M: 22.0251 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0727 | Energy: -7.445194 | Delta: 1.87e-03 | M: 29.0097 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0728 | Energy: -7.441884 | Delta: 3.31e-03 | M: 34.8789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0729 | Energy: -7.440326 | Delta: 1.56e-03 | M: 16.7174 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0730 | Energy: -7.446169 | Delta: 5.84e-03 | M: 23.1016 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -7.443565 | Delta: 2.60e-03 | M: 2774.3148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0732 | Energy: -7.447769 | Delta: 4.20e-03 | M: 35.6526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0733 | Energy: -7.449210 | Delta: 1.44e-03 | M: 47.0984 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0734 | Energy: -7.457065 | Delta: 7.86e-03 | M: 30.6935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0735 | Energy: -7.456345 | Delta: 7.21e-04 | M: 42.3614 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -7.457426 | Delta: 1.08e-03 | M: 16.3548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0737 | Energy: -7.460978 | Delta: 3.55e-03 | M: 122.0972 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0738 | Energy: -7.464599 | Delta: 3.62e-03 | M: 31.6392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0739 | Energy: -7.461275 | Delta: 3.32e-03 | M: 94.1227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0740 | Energy: -7.476208 | Delta: 1.49e-02 | M: 51.8321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -7.467001 | Delta: 9.21e-03 | M: 42.1072 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0742 | Energy: -7.465800 | Delta: 1.20e-03 | M: 0.9164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0743 | Energy: -7.469102 | Delta: 3.30e-03 | M: 16.3993 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0744 | Energy: -7.468961 | Delta: 1.41e-04 | M: 17.1954 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0745 | Energy: -7.473742 | Delta: 4.78e-03 | M: 15.5233 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -7.476260 | Delta: 2.52e-03 | M: 28.8540 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0747 | Energy: -7.478885 | Delta: 2.63e-03 | M: 17.8241 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0748 | Energy: -7.474779 | Delta: 4.11e-03 | M: 59.0612 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0749 | Energy: -7.481669 | Delta: 6.89e-03 | M: 20.0670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0750 | Energy: -7.476764 | Delta: 4.90e-03 | M: 2464.8525 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -7.482929 | Delta: 6.16e-03 | M: 14.5807 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0752 | Energy: -7.475013 | Delta: 7.92e-03 | M: 2861.2908 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0753 | Energy: -7.491314 | Delta: 1.63e-02 | M: 2716.9113 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0754 | Energy: -7.493324 | Delta: 2.01e-03 | M: 2247.3971 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0755 | Energy: -7.493523 | Delta: 1.99e-04 | M: 2855.3588 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -7.496945 | Delta: 3.42e-03 | M: 2710.0227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0757 | Energy: -7.494674 | Delta: 2.27e-03 | M: 2790.3121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0758 | Energy: -7.500756 | Delta: 6.08e-03 | M: 638.0570 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0759 | Energy: -7.502092 | Delta: 1.34e-03 | M: 23.2007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0760 | Energy: -7.510160 | Delta: 8.07e-03 | M: 20.4105 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -7.502959 | Delta: 7.20e-03 | M: 52.1138 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0762 | Energy: -7.505018 | Delta: 2.06e-03 | M: 16.2893 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0763 | Energy: -7.512826 | Delta: 7.81e-03 | M: 28.0820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0764 | Energy: -7.518845 | Delta: 6.02e-03 | M: 48.3206 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0765 | Energy: -7.528467 | Delta: 9.62e-03 | M: 28.1077 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/LiH/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -7.528724 | Delta: 2.57e-04 | M: 15.9538 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0767 | Energy: -7.535750 | Delta: 7.03e-03 | M: 25.9789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0768 | Energy: -7.546284 | Delta: 1.05e-02 | M: 46.8079 | Path: GPU-cuStateVec MPI-distributed (8 ranks) - -[LiH] Ansatz tier:hwe_adaptive -[LiH] Corr score: 0.502 -[LiH] Final energy: -7.546284 Ha -[LiH] Reference FCI : -7.882472 Ha -[LiH] Absolute error: +0.3362 Ha -[LiH] Iterations run: 768 (best at iter 768) -[LiH] Wall time: 87.82s (includes QPU queue + RTT) -[LiH] Time/iter: 0.11 s -[LiH] Source: registry -[LiH] Active electrons: 2 -[LiH] Estimated qubits: 10 -[LiH] Note: Frozen 2 core electrons. Active space: 2 electrons, 10 qubits - - ---- RUNNING CHEMISTRY TASK BeH2 --- -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.975403 | Delta: inf | M: 0.1480 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -0.895111 | Delta: 8.03e-02 | M: 5419.1764 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -0.846900 | Delta: 4.82e-02 | M: 2473.2116 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -0.926304 | Delta: 7.94e-02 | M: 30.4443 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -1.007841 | Delta: 8.15e-02 | M: 4141.0288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.169179 | Delta: 1.61e-01 | M: 3.1613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -1.400253 | Delta: 2.31e-01 | M: 9.8016 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -1.377644 | Delta: 2.26e-02 | M: 3.5566 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -1.365462 | Delta: 1.22e-02 | M: 10.2465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -1.454839 | Delta: 8.94e-02 | M: 3544.1191 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -1.627105 | Delta: 1.72e-01 | M: 27.7050 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0012 | Energy: -1.660951 | Delta: 3.38e-02 | M: 3.5563 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0013 | Energy: -1.822047 | Delta: 1.61e-01 | M: 2.5022 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0014 | Energy: -1.991496 | Delta: 1.69e-01 | M: 3514.0783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0015 | Energy: -2.107976 | Delta: 1.16e-01 | M: 28.7996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -2.101631 | Delta: 6.34e-03 | M: 1.5017 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0017 | Energy: -2.086536 | Delta: 1.51e-02 | M: 3.9648 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0018 | Energy: -2.105476 | Delta: 1.89e-02 | M: 5.0503 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0019 | Energy: -2.836814 | Delta: 7.31e-01 | M: 20.2007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0020 | Energy: -2.823916 | Delta: 1.29e-02 | M: 27.7747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -3.453277 | Delta: 6.29e-01 | M: 22.6419 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0022 | Energy: -3.519866 | Delta: 6.66e-02 | M: 77.3074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0023 | Energy: -3.708672 | Delta: 1.89e-01 | M: 4385.5883 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0024 | Energy: -3.753686 | Delta: 4.50e-02 | M: 3344.1324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0025 | Energy: -4.488584 | Delta: 7.35e-01 | M: 32.1109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -4.645133 | Delta: 1.57e-01 | M: 4151.2595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0027 | Energy: -4.780054 | Delta: 1.35e-01 | M: 3778.3712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0028 | Energy: -4.877357 | Delta: 9.73e-02 | M: 4447.0610 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0029 | Energy: -5.277788 | Delta: 4.00e-01 | M: 4146.4132 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0030 | Energy: -5.697313 | Delta: 4.20e-01 | M: 29.8851 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -6.077864 | Delta: 3.81e-01 | M: 4065.2626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0032 | Energy: -6.301980 | Delta: 2.24e-01 | M: 11.3437 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0033 | Energy: -7.239587 | Delta: 9.38e-01 | M: 21.7772 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0034 | Energy: -7.320763 | Delta: 8.12e-02 | M: 5723.4934 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0035 | Energy: -7.302083 | Delta: 1.87e-02 | M: 5628.5676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -7.568018 | Delta: 2.66e-01 | M: 5289.8074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0037 | Energy: -7.743127 | Delta: 1.75e-01 | M: 60.6014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0038 | Energy: -7.806948 | Delta: 6.38e-02 | M: 27.3205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0039 | Energy: -7.934750 | Delta: 1.28e-01 | M: 3397.1181 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0040 | Energy: -7.940707 | Delta: 5.96e-03 | M: 5750.3654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -8.158731 | Delta: 2.18e-01 | M: 28.5691 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0042 | Energy: -8.160795 | Delta: 2.06e-03 | M: 29.3041 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0043 | Energy: -8.239337 | Delta: 7.85e-02 | M: 40.7533 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0044 | Energy: -8.535254 | Delta: 2.96e-01 | M: 6166.5734 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0045 | Energy: -8.557481 | Delta: 2.22e-02 | M: 5113.9490 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -8.596313 | Delta: 3.88e-02 | M: 4698.6571 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0047 | Energy: -8.618841 | Delta: 2.25e-02 | M: 4056.8031 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0048 | Energy: -8.649938 | Delta: 3.11e-02 | M: 30.2416 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0049 | Energy: -8.717777 | Delta: 6.78e-02 | M: 19.5756 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0050 | Energy: -8.840375 | Delta: 1.23e-01 | M: 4.7476 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -8.903111 | Delta: 6.27e-02 | M: 9.1500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0052 | Energy: -8.948470 | Delta: 4.54e-02 | M: 23.9305 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0053 | Energy: -8.954184 | Delta: 5.71e-03 | M: 4682.6364 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0054 | Energy: -8.965291 | Delta: 1.11e-02 | M: 62.0269 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0055 | Energy: -8.962166 | Delta: 3.13e-03 | M: 23.1596 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -9.066210 | Delta: 1.04e-01 | M: 29.1988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0057 | Energy: -9.105061 | Delta: 3.89e-02 | M: 12.1909 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0058 | Energy: -9.093234 | Delta: 1.18e-02 | M: 44.1128 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0059 | Energy: -9.179873 | Delta: 8.66e-02 | M: 2.6638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0060 | Energy: -9.261334 | Delta: 8.15e-02 | M: 3295.2873 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -9.314997 | Delta: 5.37e-02 | M: 4023.8848 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0062 | Energy: -9.347220 | Delta: 3.22e-02 | M: 5.8482 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0063 | Energy: -9.355557 | Delta: 8.34e-03 | M: 2.2083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0064 | Energy: -9.451928 | Delta: 9.64e-02 | M: 41.6810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0065 | Energy: -9.606824 | Delta: 1.55e-01 | M: 2.0389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -9.640133 | Delta: 3.33e-02 | M: 221.0586 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0067 | Energy: -9.608463 | Delta: 3.17e-02 | M: 2.6400 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0068 | Energy: -9.772234 | Delta: 1.64e-01 | M: 25.3922 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0069 | Energy: -9.751396 | Delta: 2.08e-02 | M: 2.3175 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0070 | Energy: -9.863667 | Delta: 1.12e-01 | M: 46.0558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -9.894339 | Delta: 3.07e-02 | M: 50.5106 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0072 | Energy: -9.894036 | Delta: 3.03e-04 | M: 6.5665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0073 | Energy: -9.925375 | Delta: 3.13e-02 | M: 27.6699 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0074 | Energy: -10.055608 | Delta: 1.30e-01 | M: 4031.6231 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0075 | Energy: -10.112966 | Delta: 5.74e-02 | M: 22.0790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -10.258070 | Delta: 1.45e-01 | M: 33.4869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0077 | Energy: -10.275136 | Delta: 1.71e-02 | M: 22.3893 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0078 | Energy: -10.257009 | Delta: 1.81e-02 | M: 50.9561 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0079 | Energy: -10.344232 | Delta: 8.72e-02 | M: 30.0101 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0080 | Energy: -10.345926 | Delta: 1.69e-03 | M: 5463.8781 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -10.394710 | Delta: 4.88e-02 | M: 31.4359 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0082 | Energy: -10.413019 | Delta: 1.83e-02 | M: 3426.0438 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0083 | Energy: -10.524177 | Delta: 1.11e-01 | M: 1.6154 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0084 | Energy: -10.514866 | Delta: 9.31e-03 | M: 13.7170 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0085 | Energy: -10.558256 | Delta: 4.34e-02 | M: 3253.1013 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -10.599839 | Delta: 4.16e-02 | M: 57.7260 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0087 | Energy: -10.704998 | Delta: 1.05e-01 | M: 28.3281 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0088 | Energy: -10.689448 | Delta: 1.55e-02 | M: 53.8108 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0089 | Energy: -10.771720 | Delta: 8.23e-02 | M: 32.5090 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0090 | Energy: -10.830223 | Delta: 5.85e-02 | M: 30.7116 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -10.975245 | Delta: 1.45e-01 | M: 166.2492 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0092 | Energy: -10.999663 | Delta: 2.44e-02 | M: 36.1506 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0093 | Energy: -10.980952 | Delta: 1.87e-02 | M: 54.6463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0094 | Energy: -10.977492 | Delta: 3.46e-03 | M: 3870.2018 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0095 | Energy: -10.998675 | Delta: 2.12e-02 | M: 55.7082 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -11.071337 | Delta: 7.27e-02 | M: 89.7906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0097 | Energy: -11.228310 | Delta: 1.57e-01 | M: 1.7912 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0098 | Energy: -11.271932 | Delta: 4.36e-02 | M: 5148.4975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0099 | Energy: -11.308531 | Delta: 3.66e-02 | M: 22.1833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0100 | Energy: -11.437423 | Delta: 1.29e-01 | M: 5.4618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -11.534418 | Delta: 9.70e-02 | M: 6.8314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0102 | Energy: -11.539159 | Delta: 4.74e-03 | M: 2.6597 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0103 | Energy: -11.586120 | Delta: 4.70e-02 | M: 2.5113 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0104 | Energy: -11.554233 | Delta: 3.19e-02 | M: 3199.9880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0105 | Energy: -11.604698 | Delta: 5.05e-02 | M: 21.5412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -11.682964 | Delta: 7.83e-02 | M: 3566.1504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0107 | Energy: -11.784440 | Delta: 1.01e-01 | M: 4375.0882 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0108 | Energy: -11.780259 | Delta: 4.18e-03 | M: 28.6045 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0109 | Energy: -11.831200 | Delta: 5.09e-02 | M: 4905.2132 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0110 | Energy: -11.892599 | Delta: 6.14e-02 | M: 11.9297 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -11.928181 | Delta: 3.56e-02 | M: 3008.4305 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0112 | Energy: -11.950667 | Delta: 2.25e-02 | M: 2.2456 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0113 | Energy: -11.954497 | Delta: 3.83e-03 | M: 23.4104 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0114 | Energy: -11.976928 | Delta: 2.24e-02 | M: 3717.8544 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0115 | Energy: -11.983137 | Delta: 6.21e-03 | M: 5056.5053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -11.983155 | Delta: 1.86e-05 | M: 29.9155 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0117 | Energy: -12.069478 | Delta: 8.63e-02 | M: 4509.2397 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0118 | Energy: -12.079802 | Delta: 1.03e-02 | M: 18.0542 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0119 | Energy: -12.124233 | Delta: 4.44e-02 | M: 58.9479 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0120 | Energy: -12.253612 | Delta: 1.29e-01 | M: 15.3606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -12.317648 | Delta: 6.40e-02 | M: 3018.9556 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0122 | Energy: -12.351764 | Delta: 3.41e-02 | M: 1.1656 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0123 | Energy: -12.378976 | Delta: 2.72e-02 | M: 67.2773 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0124 | Energy: -12.461354 | Delta: 8.24e-02 | M: 2893.0451 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0125 | Energy: -12.448448 | Delta: 1.29e-02 | M: 35.8209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -12.538850 | Delta: 9.04e-02 | M: 2.4745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0127 | Energy: -12.594478 | Delta: 5.56e-02 | M: 4.0659 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0128 | Energy: -12.628768 | Delta: 3.43e-02 | M: 22.9660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0129 | Energy: -12.642780 | Delta: 1.40e-02 | M: 155.9568 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0130 | Energy: -12.634011 | Delta: 8.77e-03 | M: 31.9066 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -12.713025 | Delta: 7.90e-02 | M: 5660.7913 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0132 | Energy: -12.736649 | Delta: 2.36e-02 | M: 29.7380 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0133 | Energy: -12.712627 | Delta: 2.40e-02 | M: 5141.6565 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0134 | Energy: -12.785227 | Delta: 7.26e-02 | M: 5454.7556 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0135 | Energy: -12.788693 | Delta: 3.47e-03 | M: 4150.8341 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -12.833494 | Delta: 4.48e-02 | M: 33.7025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0137 | Energy: -12.899151 | Delta: 6.57e-02 | M: 4264.9771 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0138 | Energy: -12.919466 | Delta: 2.03e-02 | M: 50.5316 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0139 | Energy: -12.911212 | Delta: 8.25e-03 | M: 4482.7698 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0140 | Energy: -12.953385 | Delta: 4.22e-02 | M: 34.3622 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -13.043472 | Delta: 9.01e-02 | M: 5363.4784 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0142 | Energy: -13.048355 | Delta: 4.88e-03 | M: 5.8866 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0143 | Energy: -13.055720 | Delta: 7.37e-03 | M: 6.6774 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0144 | Energy: -13.069395 | Delta: 1.37e-02 | M: 4892.2042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0145 | Energy: -13.125489 | Delta: 5.61e-02 | M: 24.0564 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -13.120300 | Delta: 5.19e-03 | M: 52.6577 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0147 | Energy: -13.223162 | Delta: 1.03e-01 | M: 29.6643 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0148 | Energy: -13.226914 | Delta: 3.75e-03 | M: 3482.5080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0149 | Energy: -13.260571 | Delta: 3.37e-02 | M: 2943.8059 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0150 | Energy: -13.259455 | Delta: 1.12e-03 | M: 29.6937 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -13.285825 | Delta: 2.64e-02 | M: 4856.8250 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0152 | Energy: -13.317306 | Delta: 3.15e-02 | M: 4146.2518 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0153 | Energy: -13.316959 | Delta: 3.47e-04 | M: 27.7601 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0154 | Energy: -13.318731 | Delta: 1.77e-03 | M: 31.4593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0155 | Energy: -13.365630 | Delta: 4.69e-02 | M: 53.1325 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -13.372205 | Delta: 6.57e-03 | M: 54.7530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0157 | Energy: -13.402228 | Delta: 3.00e-02 | M: 29.4892 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0158 | Energy: -13.393590 | Delta: 8.64e-03 | M: 27.6286 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0159 | Energy: -13.452793 | Delta: 5.92e-02 | M: 4081.5429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0160 | Energy: -13.469219 | Delta: 1.64e-02 | M: 53.5465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -13.489937 | Delta: 2.07e-02 | M: 38.0985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0162 | Energy: -13.512498 | Delta: 2.26e-02 | M: 4543.8038 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0163 | Energy: -13.547976 | Delta: 3.55e-02 | M: 23.8361 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0164 | Energy: -13.553787 | Delta: 5.81e-03 | M: 3458.8025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0165 | Energy: -13.601187 | Delta: 4.74e-02 | M: 14.2447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -13.653495 | Delta: 5.23e-02 | M: 3954.4966 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0167 | Energy: -13.666969 | Delta: 1.35e-02 | M: 50.8394 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0168 | Energy: -13.790586 | Delta: 1.24e-01 | M: 34.1363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0169 | Energy: -13.819015 | Delta: 2.84e-02 | M: 59.3522 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0170 | Energy: -13.850157 | Delta: 3.11e-02 | M: 3913.7440 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -13.857347 | Delta: 7.19e-03 | M: 3.2788 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0172 | Energy: -13.859403 | Delta: 2.06e-03 | M: 11.4263 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0173 | Energy: -13.881285 | Delta: 2.19e-02 | M: 29.8685 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0174 | Energy: -13.879678 | Delta: 1.61e-03 | M: 48.9217 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0175 | Energy: -13.882812 | Delta: 3.13e-03 | M: 3.7683 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -13.918723 | Delta: 3.59e-02 | M: 3032.0951 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0177 | Energy: -13.927348 | Delta: 8.62e-03 | M: 3796.1766 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0178 | Energy: -14.017196 | Delta: 8.98e-02 | M: 30.4522 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0179 | Energy: -14.021711 | Delta: 4.51e-03 | M: 4097.2404 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0180 | Energy: -14.037493 | Delta: 1.58e-02 | M: 56.5964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -14.057984 | Delta: 2.05e-02 | M: 29.4912 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0182 | Energy: -14.132313 | Delta: 7.43e-02 | M: 29.4604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0183 | Energy: -14.117536 | Delta: 1.48e-02 | M: 4.8840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0184 | Energy: -14.147736 | Delta: 3.02e-02 | M: 3.4491 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0185 | Energy: -14.148515 | Delta: 7.79e-04 | M: 5.0360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -14.224669 | Delta: 7.62e-02 | M: 14.8839 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0187 | Energy: -14.220482 | Delta: 4.19e-03 | M: 2.1604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0188 | Energy: -14.260343 | Delta: 3.99e-02 | M: 29.6687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0189 | Energy: -14.274559 | Delta: 1.42e-02 | M: 3493.0921 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0190 | Energy: -14.335203 | Delta: 6.06e-02 | M: 54.3573 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -14.358658 | Delta: 2.35e-02 | M: 4919.7252 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0192 | Energy: -14.369634 | Delta: 1.10e-02 | M: 27.9637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0193 | Energy: -14.392324 | Delta: 2.27e-02 | M: 5064.7574 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0194 | Energy: -14.384471 | Delta: 7.85e-03 | M: 4389.7308 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0195 | Energy: -14.397263 | Delta: 1.28e-02 | M: 3.6449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -14.406685 | Delta: 9.42e-03 | M: 37.6609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0197 | Energy: -14.453960 | Delta: 4.73e-02 | M: 52.8078 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0198 | Energy: -14.450843 | Delta: 3.12e-03 | M: 2.6148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0199 | Energy: -14.521642 | Delta: 7.08e-02 | M: 4.9186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0200 | Energy: -14.539203 | Delta: 1.76e-02 | M: 6.1027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -14.579852 | Delta: 4.06e-02 | M: 28.1257 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0202 | Energy: -14.552191 | Delta: 2.77e-02 | M: 3.4729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0203 | Energy: -14.577567 | Delta: 2.54e-02 | M: 4816.5152 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0204 | Energy: -14.565570 | Delta: 1.20e-02 | M: 21.7289 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0205 | Energy: -14.589981 | Delta: 2.44e-02 | M: 51.7532 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -14.625146 | Delta: 3.52e-02 | M: 4958.5519 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0207 | Energy: -14.632323 | Delta: 7.18e-03 | M: 5941.7477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0208 | Energy: -14.725937 | Delta: 9.36e-02 | M: 5319.8585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0209 | Energy: -14.713257 | Delta: 1.27e-02 | M: 3817.9814 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0210 | Energy: -14.730871 | Delta: 1.76e-02 | M: 5458.1318 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -14.737500 | Delta: 6.63e-03 | M: 29.6744 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0212 | Energy: -14.735748 | Delta: 1.75e-03 | M: 468.2933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0213 | Energy: -14.732867 | Delta: 2.88e-03 | M: 50.5148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0214 | Energy: -14.763193 | Delta: 3.03e-02 | M: 4.2346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0215 | Energy: -14.762449 | Delta: 7.44e-04 | M: 28.3118 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -14.826207 | Delta: 6.38e-02 | M: 49.9251 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0217 | Energy: -14.859591 | Delta: 3.34e-02 | M: 79.6084 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0218 | Energy: -14.885144 | Delta: 2.56e-02 | M: 2.0678 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0219 | Energy: -14.903150 | Delta: 1.80e-02 | M: 24.3224 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0220 | Energy: -14.886903 | Delta: 1.62e-02 | M: 7.1042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -14.917867 | Delta: 3.10e-02 | M: 4200.1707 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0222 | Energy: -14.909775 | Delta: 8.09e-03 | M: 1.4433 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0223 | Energy: -14.955236 | Delta: 4.55e-02 | M: 3255.7166 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0224 | Energy: -14.977084 | Delta: 2.18e-02 | M: 2.1683 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0225 | Energy: -14.994081 | Delta: 1.70e-02 | M: 24.3444 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -15.007881 | Delta: 1.38e-02 | M: 53.2661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0227 | Energy: -15.018205 | Delta: 1.03e-02 | M: 32.6677 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0228 | Energy: -15.016859 | Delta: 1.35e-03 | M: 4.3335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0229 | Energy: -15.045189 | Delta: 2.83e-02 | M: 49.0463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0230 | Energy: -15.032734 | Delta: 1.25e-02 | M: 45.3629 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -15.044886 | Delta: 1.22e-02 | M: 54.3109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0232 | Energy: -15.069872 | Delta: 2.50e-02 | M: 52.6746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0233 | Energy: -15.078229 | Delta: 8.36e-03 | M: 27.8965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0234 | Energy: -15.071912 | Delta: 6.32e-03 | M: 3648.0619 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0235 | Energy: -15.091418 | Delta: 1.95e-02 | M: 47.1605 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -15.081214 | Delta: 1.02e-02 | M: 30.7708 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0237 | Energy: -15.081065 | Delta: 1.49e-04 | M: 49.4639 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0238 | Energy: -15.101889 | Delta: 2.08e-02 | M: 49.0652 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0239 | Energy: -15.112075 | Delta: 1.02e-02 | M: 4440.7885 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0240 | Energy: -15.118481 | Delta: 6.41e-03 | M: 3655.2605 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -15.144530 | Delta: 2.60e-02 | M: 3989.7462 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0242 | Energy: -15.150673 | Delta: 6.14e-03 | M: 4687.7259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0243 | Energy: -15.158195 | Delta: 7.52e-03 | M: 5119.3158 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0244 | Energy: -15.174414 | Delta: 1.62e-02 | M: 22.3358 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0245 | Energy: -15.184018 | Delta: 9.60e-03 | M: 49.0125 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -15.189069 | Delta: 5.05e-03 | M: 29.7111 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0247 | Energy: -15.200235 | Delta: 1.12e-02 | M: 29.7500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0248 | Energy: -15.206764 | Delta: 6.53e-03 | M: 20.9144 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0249 | Energy: -15.243219 | Delta: 3.65e-02 | M: 3665.2676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0250 | Energy: -15.236443 | Delta: 6.78e-03 | M: 29.8731 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -15.241431 | Delta: 4.99e-03 | M: 5527.9677 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0252 | Energy: -15.250363 | Delta: 8.93e-03 | M: 34.3363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0253 | Energy: -15.267846 | Delta: 1.75e-02 | M: 27.7892 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0254 | Energy: -15.277267 | Delta: 9.42e-03 | M: 50.0895 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0255 | Energy: -15.299337 | Delta: 2.21e-02 | M: 32.3705 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -15.324314 | Delta: 2.50e-02 | M: 4.6741 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0257 | Energy: -15.363836 | Delta: 3.95e-02 | M: 3075.0789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0258 | Energy: -15.421387 | Delta: 5.76e-02 | M: 29.5646 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0259 | Energy: -15.443262 | Delta: 2.19e-02 | M: 28.5420 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0260 | Energy: -15.486203 | Delta: 4.29e-02 | M: 33.0837 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -15.555709 | Delta: 6.95e-02 | M: 4795.0792 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -NOTE: Energy -15.5995 crossed below FCI -15.5951 at iter 262 - HWE ansatz leaving physical sector (expected limitation) -Iter 0262 | Energy: -15.599460 | Delta: 4.38e-02 | M: 3.4782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0263 | Energy: -15.642305 | Delta: 4.28e-02 | M: 14.5673 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0264 | Energy: -15.636667 | Delta: 5.64e-03 | M: 123.3460 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0265 | Energy: -15.642155 | Delta: 5.49e-03 | M: 32.7574 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -15.634960 | Delta: 7.19e-03 | M: 3785.3104 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0267 | Energy: -15.652533 | Delta: 1.76e-02 | M: 52.1702 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0268 | Energy: -15.678859 | Delta: 2.63e-02 | M: 4160.5089 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0269 | Energy: -15.678188 | Delta: 6.71e-04 | M: 4031.8659 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0270 | Energy: -15.676847 | Delta: 1.34e-03 | M: 15.9186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -15.732046 | Delta: 5.52e-02 | M: 1.9962 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0272 | Energy: -15.743759 | Delta: 1.17e-02 | M: 159.4804 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0273 | Energy: -15.736357 | Delta: 7.40e-03 | M: 4853.0530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0274 | Energy: -15.744317 | Delta: 7.96e-03 | M: 3952.8196 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0275 | Energy: -15.759564 | Delta: 1.52e-02 | M: 4592.6531 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -15.771335 | Delta: 1.18e-02 | M: 10.4068 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0277 | Energy: -15.788490 | Delta: 1.72e-02 | M: 1.8012 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0278 | Energy: -15.797554 | Delta: 9.06e-03 | M: 5.5730 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0279 | Energy: -15.807445 | Delta: 9.89e-03 | M: 26.7156 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0280 | Energy: -15.820277 | Delta: 1.28e-02 | M: 57.9021 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -15.815625 | Delta: 4.65e-03 | M: 23.3757 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0282 | Energy: -15.826543 | Delta: 1.09e-02 | M: 4461.6833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0283 | Energy: -15.833353 | Delta: 6.81e-03 | M: 4685.2759 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0284 | Energy: -15.830780 | Delta: 2.57e-03 | M: 28.6717 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0285 | Energy: -15.850215 | Delta: 1.94e-02 | M: 4179.7151 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -15.839235 | Delta: 1.10e-02 | M: 4010.5614 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0287 | Energy: -15.868860 | Delta: 2.96e-02 | M: 2614.3253 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0288 | Energy: -15.863138 | Delta: 5.72e-03 | M: 56.9368 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0289 | Energy: -15.870758 | Delta: 7.62e-03 | M: 30.7412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0290 | Energy: -15.880832 | Delta: 1.01e-02 | M: 70.7117 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -15.882979 | Delta: 2.15e-03 | M: 27.9555 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0292 | Energy: -15.887826 | Delta: 4.85e-03 | M: 4725.1905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0293 | Energy: -15.904290 | Delta: 1.65e-02 | M: 4233.3032 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0294 | Energy: -15.942633 | Delta: 3.83e-02 | M: 30.5131 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0295 | Energy: -15.958976 | Delta: 1.63e-02 | M: 52.4767 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -15.962774 | Delta: 3.80e-03 | M: 30.9373 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0297 | Energy: -15.977507 | Delta: 1.47e-02 | M: 22.9032 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0298 | Energy: -15.999764 | Delta: 2.23e-02 | M: 5.1675 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0299 | Energy: -16.003927 | Delta: 4.16e-03 | M: 45.5556 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0300 | Energy: -16.004836 | Delta: 9.10e-04 | M: 42.8394 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -15.989113 | Delta: 1.57e-02 | M: 7.8592 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0302 | Energy: -16.007388 | Delta: 1.83e-02 | M: 4174.8905 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0303 | Energy: -16.035822 | Delta: 2.84e-02 | M: 5092.4370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0304 | Energy: -16.022006 | Delta: 1.38e-02 | M: 52.1200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0305 | Energy: -16.019083 | Delta: 2.92e-03 | M: 4362.5560 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -16.021035 | Delta: 1.95e-03 | M: 3552.6176 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0307 | Energy: -16.022862 | Delta: 1.83e-03 | M: 61.4069 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0308 | Energy: -16.036091 | Delta: 1.32e-02 | M: 4572.4869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0309 | Energy: -16.030974 | Delta: 5.12e-03 | M: 3882.6617 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0310 | Energy: -16.061765 | Delta: 3.08e-02 | M: 61.1390 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -16.070057 | Delta: 8.29e-03 | M: 51.7503 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0312 | Energy: -16.081349 | Delta: 1.13e-02 | M: 23.5255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0313 | Energy: -16.089108 | Delta: 7.76e-03 | M: 4777.0469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0314 | Energy: -16.092014 | Delta: 2.91e-03 | M: 5819.2541 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0315 | Energy: -16.088538 | Delta: 3.48e-03 | M: 4890.6833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -16.083990 | Delta: 4.55e-03 | M: 37.7589 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0317 | Energy: -16.188467 | Delta: 1.04e-01 | M: 4517.2554 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0318 | Energy: -16.198673 | Delta: 1.02e-02 | M: 2846.7970 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0319 | Energy: -16.190148 | Delta: 8.52e-03 | M: 49.9778 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0320 | Energy: -16.184334 | Delta: 5.81e-03 | M: 5.7449 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -16.210676 | Delta: 2.63e-02 | M: 48.2860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0322 | Energy: -16.210178 | Delta: 4.99e-04 | M: 22.1769 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0323 | Energy: -16.250869 | Delta: 4.07e-02 | M: 4836.8346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0324 | Energy: -16.258800 | Delta: 7.93e-03 | M: 6.2670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0325 | Energy: -16.258014 | Delta: 7.86e-04 | M: 27.9604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -16.262320 | Delta: 4.31e-03 | M: 4376.7322 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0327 | Energy: -16.258168 | Delta: 4.15e-03 | M: 1.7435 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0328 | Energy: -16.269656 | Delta: 1.15e-02 | M: 1.9599 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0329 | Energy: -16.265904 | Delta: 3.75e-03 | M: 41.7748 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0330 | Energy: -16.273076 | Delta: 7.17e-03 | M: 1.6581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -16.266265 | Delta: 6.81e-03 | M: 43.7422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0332 | Energy: -16.273594 | Delta: 7.33e-03 | M: 57.9980 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0333 | Energy: -16.287207 | Delta: 1.36e-02 | M: 3897.3517 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0334 | Energy: -16.319937 | Delta: 3.27e-02 | M: 4.3090 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0335 | Energy: -16.329844 | Delta: 9.91e-03 | M: 43.0877 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -16.402007 | Delta: 7.22e-02 | M: 3669.8653 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0337 | Energy: -16.422140 | Delta: 2.01e-02 | M: 4711.2841 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0338 | Energy: -16.483275 | Delta: 6.11e-02 | M: 3866.9481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0339 | Energy: -16.495230 | Delta: 1.20e-02 | M: 24.6703 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0340 | Energy: -16.507754 | Delta: 1.25e-02 | M: 4687.7134 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -16.492060 | Delta: 1.57e-02 | M: 5171.0635 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0342 | Energy: -16.509894 | Delta: 1.78e-02 | M: 3.1507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0343 | Energy: -16.541265 | Delta: 3.14e-02 | M: 19.8874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0344 | Energy: -16.557121 | Delta: 1.59e-02 | M: 82.9466 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0345 | Energy: -16.581800 | Delta: 2.47e-02 | M: 56.8427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -16.590883 | Delta: 9.08e-03 | M: 7.9162 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0347 | Energy: -16.623691 | Delta: 3.28e-02 | M: 19.2203 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0348 | Energy: -16.637198 | Delta: 1.35e-02 | M: 55.8071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0349 | Energy: -16.636424 | Delta: 7.74e-04 | M: 3.8040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0350 | Energy: -16.634430 | Delta: 1.99e-03 | M: 30.7341 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -16.659546 | Delta: 2.51e-02 | M: 49.6429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0352 | Energy: -16.664420 | Delta: 4.87e-03 | M: 56.4073 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0353 | Energy: -16.659827 | Delta: 4.59e-03 | M: 56.8164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0354 | Energy: -16.664312 | Delta: 4.49e-03 | M: 29.6180 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0355 | Energy: -16.650074 | Delta: 1.42e-02 | M: 26.8517 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -16.666071 | Delta: 1.60e-02 | M: 3221.1003 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0357 | Energy: -16.681003 | Delta: 1.49e-02 | M: 35.2900 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0358 | Energy: -16.686931 | Delta: 5.93e-03 | M: 30.3446 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0359 | Energy: -16.676513 | Delta: 1.04e-02 | M: 30.0237 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0360 | Energy: -16.681742 | Delta: 5.23e-03 | M: 2550.3398 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -16.670000 | Delta: 1.17e-02 | M: 36.4728 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0362 | Energy: -16.703056 | Delta: 3.31e-02 | M: 48.7977 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0363 | Energy: -16.736393 | Delta: 3.33e-02 | M: 50.4788 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0364 | Energy: -16.757353 | Delta: 2.10e-02 | M: 31.5831 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0365 | Energy: -16.786285 | Delta: 2.89e-02 | M: 50.8602 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -16.801600 | Delta: 1.53e-02 | M: 51.7040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0367 | Energy: -16.809724 | Delta: 8.12e-03 | M: 28.6900 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0368 | Energy: -16.809282 | Delta: 4.42e-04 | M: 3486.0585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0369 | Energy: -16.824692 | Delta: 1.54e-02 | M: 52.5100 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0370 | Energy: -16.840899 | Delta: 1.62e-02 | M: 4.6240 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -16.836370 | Delta: 4.53e-03 | M: 4292.3107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0372 | Energy: -16.862506 | Delta: 2.61e-02 | M: 4.1522 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0373 | Energy: -16.873101 | Delta: 1.06e-02 | M: 11.4250 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0374 | Energy: -16.928369 | Delta: 5.53e-02 | M: 4.0861 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0375 | Energy: -16.945501 | Delta: 1.71e-02 | M: 2.4115 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -16.939694 | Delta: 5.81e-03 | M: 3559.8709 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0377 | Energy: -16.936229 | Delta: 3.46e-03 | M: 2.6308 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0378 | Energy: -16.943255 | Delta: 7.03e-03 | M: 6.6209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0379 | Energy: -16.949812 | Delta: 6.56e-03 | M: 1.6507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0380 | Energy: -16.952050 | Delta: 2.24e-03 | M: 29.8707 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -16.944479 | Delta: 7.57e-03 | M: 31.6020 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0382 | Energy: -16.955072 | Delta: 1.06e-02 | M: 51.9209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0383 | Energy: -16.964589 | Delta: 9.52e-03 | M: 2.1387 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0384 | Energy: -16.962478 | Delta: 2.11e-03 | M: 15.9439 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0385 | Energy: -16.968551 | Delta: 6.07e-03 | M: 49.0927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -16.988718 | Delta: 2.02e-02 | M: 4709.3960 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0387 | Energy: -16.979170 | Delta: 9.55e-03 | M: 5.7266 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0388 | Energy: -16.992484 | Delta: 1.33e-02 | M: 33.3583 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0389 | Energy: -16.995805 | Delta: 3.32e-03 | M: 4829.3065 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0390 | Energy: -17.008710 | Delta: 1.29e-02 | M: 5424.9265 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -17.021549 | Delta: 1.28e-02 | M: 50.1109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0392 | Energy: -17.009511 | Delta: 1.20e-02 | M: 48.8808 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0393 | Energy: -17.012687 | Delta: 3.18e-03 | M: 28.1686 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0394 | Energy: -17.014069 | Delta: 1.38e-03 | M: 4761.6499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0395 | Energy: -17.010223 | Delta: 3.85e-03 | M: 4954.3815 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -17.043289 | Delta: 3.31e-02 | M: 49.0025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0397 | Energy: -17.041780 | Delta: 1.51e-03 | M: 3631.2849 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0398 | Energy: -17.044688 | Delta: 2.91e-03 | M: 25.6593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0399 | Energy: -17.064522 | Delta: 1.98e-02 | M: 4090.9752 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0400 | Energy: -17.062177 | Delta: 2.34e-03 | M: 4019.3127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -17.069390 | Delta: 7.21e-03 | M: 7.4027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0402 | Energy: -17.082139 | Delta: 1.27e-02 | M: 30.2037 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0403 | Energy: -17.095517 | Delta: 1.34e-02 | M: 4070.3982 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0404 | Energy: -17.095685 | Delta: 1.68e-04 | M: 6.5464 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0405 | Energy: -17.101382 | Delta: 5.70e-03 | M: 4.6927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -17.120672 | Delta: 1.93e-02 | M: 44.8897 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0407 | Energy: -17.122051 | Delta: 1.38e-03 | M: 10.6739 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0408 | Energy: -17.119730 | Delta: 2.32e-03 | M: 29.1055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0409 | Energy: -17.140485 | Delta: 2.08e-02 | M: 32.6107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0410 | Energy: -17.118854 | Delta: 2.16e-02 | M: 51.7501 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -17.126977 | Delta: 8.12e-03 | M: 2498.3055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0412 | Energy: -17.137767 | Delta: 1.08e-02 | M: 54.2880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0413 | Energy: -17.139940 | Delta: 2.17e-03 | M: 8.8797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0414 | Energy: -17.165270 | Delta: 2.53e-02 | M: 3386.8038 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0415 | Energy: -17.175076 | Delta: 9.81e-03 | M: 21.8721 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -17.172179 | Delta: 2.90e-03 | M: 31.7915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0417 | Energy: -17.173454 | Delta: 1.27e-03 | M: 21.8777 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0418 | Energy: -17.166867 | Delta: 6.59e-03 | M: 4277.4595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0419 | Energy: -17.183559 | Delta: 1.67e-02 | M: 4005.9564 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0420 | Energy: -17.181423 | Delta: 2.14e-03 | M: 55.2127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -17.171786 | Delta: 9.64e-03 | M: 151.6068 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0422 | Energy: -17.193422 | Delta: 2.16e-02 | M: 32.3375 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0423 | Energy: -17.201828 | Delta: 8.41e-03 | M: 3925.9306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0424 | Energy: -17.205510 | Delta: 3.68e-03 | M: 44.6486 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0425 | Energy: -17.237581 | Delta: 3.21e-02 | M: 2.9505 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -17.241979 | Delta: 4.40e-03 | M: 4082.8694 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0427 | Energy: -17.249382 | Delta: 7.40e-03 | M: 61.1326 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0428 | Energy: -17.247288 | Delta: 2.09e-03 | M: 30.1835 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0429 | Energy: -17.267770 | Delta: 2.05e-02 | M: 3950.9434 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0430 | Energy: -17.256266 | Delta: 1.15e-02 | M: 2.0714 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -17.270421 | Delta: 1.42e-02 | M: 16.1748 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0432 | Energy: -17.274820 | Delta: 4.40e-03 | M: 3.7026 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0433 | Energy: -17.285319 | Delta: 1.05e-02 | M: 3.0869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0434 | Energy: -17.279284 | Delta: 6.04e-03 | M: 3563.9279 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0435 | Energy: -17.301458 | Delta: 2.22e-02 | M: 2.1859 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -17.282740 | Delta: 1.87e-02 | M: 1.4818 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0437 | Energy: -17.294005 | Delta: 1.13e-02 | M: 3229.6760 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0438 | Energy: -17.284311 | Delta: 9.69e-03 | M: 4849.5938 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0439 | Energy: -17.289380 | Delta: 5.07e-03 | M: 3900.6128 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0440 | Energy: -17.301485 | Delta: 1.21e-02 | M: 3.4618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -17.304062 | Delta: 2.58e-03 | M: 66.6457 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0442 | Energy: -17.308596 | Delta: 4.53e-03 | M: 55.3313 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0443 | Energy: -17.306442 | Delta: 2.15e-03 | M: 4484.9452 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0444 | Energy: -17.336739 | Delta: 3.03e-02 | M: 28.2836 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0445 | Energy: -17.330764 | Delta: 5.98e-03 | M: 52.0422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -17.322177 | Delta: 8.59e-03 | M: 29.2413 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0447 | Energy: -17.316672 | Delta: 5.50e-03 | M: 3851.9604 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0448 | Energy: -17.335022 | Delta: 1.84e-02 | M: 33.5561 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0449 | Energy: -17.340839 | Delta: 5.82e-03 | M: 4338.1333 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0450 | Energy: -17.351713 | Delta: 1.09e-02 | M: 3.8875 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -17.341685 | Delta: 1.00e-02 | M: 1147.7404 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0452 | Energy: -17.342404 | Delta: 7.18e-04 | M: 25.5662 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0453 | Energy: -17.365128 | Delta: 2.27e-02 | M: 1.7012 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0454 | Energy: -17.373258 | Delta: 8.13e-03 | M: 38.6501 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0455 | Energy: -17.364688 | Delta: 8.57e-03 | M: 60.0600 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -17.366196 | Delta: 1.51e-03 | M: 3960.6304 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0457 | Energy: -17.380514 | Delta: 1.43e-02 | M: 3477.0504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0458 | Energy: -17.383754 | Delta: 3.24e-03 | M: 7.7945 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0459 | Energy: -17.400509 | Delta: 1.68e-02 | M: 21.3698 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0460 | Energy: -17.390176 | Delta: 1.03e-02 | M: 33.7991 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -17.391987 | Delta: 1.81e-03 | M: 7.5067 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0462 | Energy: -17.397762 | Delta: 5.77e-03 | M: 27.0229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0463 | Energy: -17.402897 | Delta: 5.13e-03 | M: 4330.8695 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0464 | Energy: -17.400246 | Delta: 2.65e-03 | M: 3795.5809 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0465 | Energy: -17.403152 | Delta: 2.91e-03 | M: 51.3507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -17.413932 | Delta: 1.08e-02 | M: 56.4661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0467 | Energy: -17.414034 | Delta: 1.02e-04 | M: 22.3295 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0468 | Energy: -17.413685 | Delta: 3.49e-04 | M: 55.3243 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0469 | Energy: -17.414160 | Delta: 4.75e-04 | M: 4681.2172 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0470 | Energy: -17.415994 | Delta: 1.83e-03 | M: 38.4803 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -17.416530 | Delta: 5.36e-04 | M: 4562.9533 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0472 | Energy: -17.410995 | Delta: 5.53e-03 | M: 7.8662 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0473 | Energy: -17.420537 | Delta: 9.54e-03 | M: 3531.7971 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0474 | Energy: -17.428543 | Delta: 8.01e-03 | M: 4518.1229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0475 | Energy: -17.425486 | Delta: 3.06e-03 | M: 48.4168 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -17.431650 | Delta: 6.16e-03 | M: 3836.4852 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0477 | Energy: -17.439612 | Delta: 7.96e-03 | M: 30.7467 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0478 | Energy: -17.434316 | Delta: 5.30e-03 | M: 4353.4915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0479 | Energy: -17.442516 | Delta: 8.20e-03 | M: 52.3618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0480 | Energy: -17.444635 | Delta: 2.12e-03 | M: 31.3236 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -17.437031 | Delta: 7.60e-03 | M: 4197.7170 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0482 | Energy: -17.454004 | Delta: 1.70e-02 | M: 3734.2198 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0483 | Energy: -17.452504 | Delta: 1.50e-03 | M: 1.5714 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0484 | Energy: -17.454794 | Delta: 2.29e-03 | M: 3093.1050 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0485 | Energy: -17.461127 | Delta: 6.33e-03 | M: 3705.6558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -17.456593 | Delta: 4.53e-03 | M: 55.5901 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0487 | Energy: -17.467318 | Delta: 1.07e-02 | M: 16.2892 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0488 | Energy: -17.470162 | Delta: 2.84e-03 | M: 3389.2143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0489 | Energy: -17.467359 | Delta: 2.80e-03 | M: 0.9500 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0490 | Energy: -17.475211 | Delta: 7.85e-03 | M: 97.9618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -17.473044 | Delta: 2.17e-03 | M: 4024.9329 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0492 | Energy: -17.488776 | Delta: 1.57e-02 | M: 2774.0363 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0493 | Energy: -17.494275 | Delta: 5.50e-03 | M: 1.5324 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0494 | Energy: -17.483021 | Delta: 1.13e-02 | M: 41.6587 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0495 | Energy: -17.471461 | Delta: 1.16e-02 | M: 4.5740 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -17.488838 | Delta: 1.74e-02 | M: 20.6543 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0497 | Energy: -17.478649 | Delta: 1.02e-02 | M: 3697.9919 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0498 | Energy: -17.493802 | Delta: 1.52e-02 | M: 3300.2709 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0499 | Energy: -17.490562 | Delta: 3.24e-03 | M: 31.6074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0500 | Energy: -17.495728 | Delta: 5.17e-03 | M: 4420.1451 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -17.498046 | Delta: 2.32e-03 | M: 12.4402 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0502 | Energy: -17.495349 | Delta: 2.70e-03 | M: 3.1037 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0503 | Energy: -17.497107 | Delta: 1.76e-03 | M: 41.9253 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0504 | Energy: -17.490033 | Delta: 7.07e-03 | M: 3049.2469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0505 | Energy: -17.495719 | Delta: 5.69e-03 | M: 53.2535 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -17.504661 | Delta: 8.94e-03 | M: 30.4098 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0507 | Energy: -17.508237 | Delta: 3.58e-03 | M: 29.9987 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0508 | Energy: -17.513300 | Delta: 5.06e-03 | M: 1.3820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0509 | Energy: -17.521982 | Delta: 8.68e-03 | M: 51.4322 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0510 | Energy: -17.518291 | Delta: 3.69e-03 | M: 50.6727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -17.523859 | Delta: 5.57e-03 | M: 3880.0078 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0512 | Energy: -17.526161 | Delta: 2.30e-03 | M: 4811.9047 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0513 | Energy: -17.535875 | Delta: 9.71e-03 | M: 52.9529 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0514 | Energy: -17.544123 | Delta: 8.25e-03 | M: 4.4521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0515 | Energy: -17.544891 | Delta: 7.68e-04 | M: 33.5606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -17.537486 | Delta: 7.40e-03 | M: 56.9511 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0517 | Energy: -17.550829 | Delta: 1.33e-02 | M: 51.3931 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0518 | Energy: -17.543399 | Delta: 7.43e-03 | M: 2.3757 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0519 | Energy: -17.551713 | Delta: 8.31e-03 | M: 29.1289 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0520 | Energy: -17.541101 | Delta: 1.06e-02 | M: 49.0382 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -17.563621 | Delta: 2.25e-02 | M: 67.7701 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0522 | Energy: -17.559029 | Delta: 4.59e-03 | M: 52.0330 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0523 | Energy: -17.561017 | Delta: 1.99e-03 | M: 34.0319 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0524 | Energy: -17.568907 | Delta: 7.89e-03 | M: 2763.8000 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0525 | Energy: -17.570238 | Delta: 1.33e-03 | M: 49.8319 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -17.546867 | Delta: 2.34e-02 | M: 51.0213 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0527 | Energy: -17.566875 | Delta: 2.00e-02 | M: 26.1660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0528 | Energy: -17.579576 | Delta: 1.27e-02 | M: 3286.3669 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0529 | Energy: -17.582774 | Delta: 3.20e-03 | M: 4295.0109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0530 | Energy: -17.571168 | Delta: 1.16e-02 | M: 51.3025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -17.578017 | Delta: 6.85e-03 | M: 5204.4936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0532 | Energy: -17.566667 | Delta: 1.13e-02 | M: 30.8006 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0533 | Energy: -17.591253 | Delta: 2.46e-02 | M: 6220.7596 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0534 | Energy: -17.591193 | Delta: 6.04e-05 | M: 4094.2514 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0535 | Energy: -17.604249 | Delta: 1.31e-02 | M: 80.5141 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -17.597634 | Delta: 6.61e-03 | M: 3.8477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0537 | Energy: -17.596348 | Delta: 1.29e-03 | M: 7.7370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0538 | Energy: -17.603305 | Delta: 6.96e-03 | M: 4057.9997 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0539 | Energy: -17.609097 | Delta: 5.79e-03 | M: 6.3044 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0540 | Energy: -17.606729 | Delta: 2.37e-03 | M: 3748.6412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -17.597835 | Delta: 8.89e-03 | M: 3833.1486 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0542 | Energy: -17.604248 | Delta: 6.41e-03 | M: 3.6161 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0543 | Energy: -17.606965 | Delta: 2.72e-03 | M: 91.8776 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0544 | Energy: -17.601369 | Delta: 5.60e-03 | M: 120.1938 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0545 | Energy: -17.611198 | Delta: 9.83e-03 | M: 6.6783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -17.608592 | Delta: 2.61e-03 | M: 2.3371 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0547 | Energy: -17.611431 | Delta: 2.84e-03 | M: 3174.9083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0548 | Energy: -17.603174 | Delta: 8.26e-03 | M: 147.9440 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0549 | Energy: -17.603075 | Delta: 9.89e-05 | M: 6.0520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0550 | Energy: -17.616303 | Delta: 1.32e-02 | M: 46.5762 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -17.618985 | Delta: 2.68e-03 | M: 51.9571 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0552 | Energy: -17.620235 | Delta: 1.25e-03 | M: 61.7197 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0553 | Energy: -17.621474 | Delta: 1.24e-03 | M: 53.0004 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0554 | Energy: -17.620820 | Delta: 6.54e-04 | M: 14.7268 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0555 | Energy: -17.626772 | Delta: 5.95e-03 | M: 3.6590 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -17.618353 | Delta: 8.42e-03 | M: 3413.3352 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0557 | Energy: -17.630483 | Delta: 1.21e-02 | M: 50.7868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0558 | Energy: -17.618253 | Delta: 1.22e-02 | M: 18.9298 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0559 | Energy: -17.631093 | Delta: 1.28e-02 | M: 5.2670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0560 | Energy: -17.635589 | Delta: 4.50e-03 | M: 6.5526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -17.632895 | Delta: 2.69e-03 | M: 3946.1411 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0562 | Energy: -17.645609 | Delta: 1.27e-02 | M: 3.7581 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0563 | Energy: -17.655996 | Delta: 1.04e-02 | M: 46.4675 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0564 | Energy: -17.641647 | Delta: 1.43e-02 | M: 20.9188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0565 | Energy: -17.635816 | Delta: 5.83e-03 | M: 4.2868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -17.657821 | Delta: 2.20e-02 | M: 3514.2423 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0567 | Energy: -17.651424 | Delta: 6.40e-03 | M: 4519.3279 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0568 | Energy: -17.646434 | Delta: 4.99e-03 | M: 34.2619 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0569 | Energy: -17.656324 | Delta: 9.89e-03 | M: 34.7973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0570 | Energy: -17.662575 | Delta: 6.25e-03 | M: 2.6462 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -17.663369 | Delta: 7.94e-04 | M: 3395.7251 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0572 | Energy: -17.657177 | Delta: 6.19e-03 | M: 1.8768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0573 | Energy: -17.658080 | Delta: 9.02e-04 | M: 17.8949 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0574 | Energy: -17.658812 | Delta: 7.33e-04 | M: 28.1400 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0575 | Energy: -17.660633 | Delta: 1.82e-03 | M: 5454.7419 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -17.662374 | Delta: 1.74e-03 | M: 30.2479 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0577 | Energy: -17.657226 | Delta: 5.15e-03 | M: 5035.9727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0578 | Energy: -17.663295 | Delta: 6.07e-03 | M: 62.1214 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0579 | Energy: -17.668710 | Delta: 5.41e-03 | M: 2.6630 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0580 | Energy: -17.667142 | Delta: 1.57e-03 | M: 1.1314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -17.675557 | Delta: 8.42e-03 | M: 42.3123 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0582 | Energy: -17.664779 | Delta: 1.08e-02 | M: 6.1162 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0583 | Energy: -17.679387 | Delta: 1.46e-02 | M: 4074.8357 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0584 | Energy: -17.676447 | Delta: 2.94e-03 | M: 4142.4168 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0585 | Energy: -17.664142 | Delta: 1.23e-02 | M: 5.3166 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -17.666291 | Delta: 2.15e-03 | M: 45.7632 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0587 | Energy: -17.678615 | Delta: 1.23e-02 | M: 31.1521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0588 | Energy: -17.674352 | Delta: 4.26e-03 | M: 6068.4523 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0589 | Energy: -17.681359 | Delta: 7.01e-03 | M: 1.4231 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0590 | Energy: -17.683368 | Delta: 2.01e-03 | M: 23.9336 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -17.690269 | Delta: 6.90e-03 | M: 30.1095 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0592 | Energy: -17.689250 | Delta: 1.02e-03 | M: 29.1534 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0593 | Energy: -17.667640 | Delta: 2.16e-02 | M: 3168.2670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0594 | Energy: -17.695365 | Delta: 2.77e-02 | M: 2.9072 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0595 | Energy: -17.692762 | Delta: 2.60e-03 | M: 1.5913 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -17.689635 | Delta: 3.13e-03 | M: 39.1302 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0597 | Energy: -17.684299 | Delta: 5.34e-03 | M: 2.9315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0598 | Energy: -17.702333 | Delta: 1.80e-02 | M: 2.4788 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0599 | Energy: -17.694878 | Delta: 7.45e-03 | M: 2.0332 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0600 | Energy: -17.696006 | Delta: 1.13e-03 | M: 40.8959 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -17.682923 | Delta: 1.31e-02 | M: 30.7631 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0602 | Energy: -17.689077 | Delta: 6.15e-03 | M: 48.3549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0603 | Energy: -17.694351 | Delta: 5.27e-03 | M: 31.3027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0604 | Energy: -17.704958 | Delta: 1.06e-02 | M: 3633.2638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0605 | Energy: -17.704739 | Delta: 2.19e-04 | M: 4081.1929 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -17.689227 | Delta: 1.55e-02 | M: 59.6005 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0607 | Energy: -17.698027 | Delta: 8.80e-03 | M: 4058.5188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0608 | Energy: -17.701924 | Delta: 3.90e-03 | M: 51.3092 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0609 | Energy: -17.701883 | Delta: 4.19e-05 | M: 5601.8472 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0610 | Energy: -17.704650 | Delta: 2.77e-03 | M: 4511.0295 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -17.703831 | Delta: 8.19e-04 | M: 53.3171 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0612 | Energy: -17.707804 | Delta: 3.97e-03 | M: 46.8639 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0613 | Energy: -17.700261 | Delta: 7.54e-03 | M: 5535.4746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0614 | Energy: -17.711098 | Delta: 1.08e-02 | M: 27.5289 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0615 | Energy: -17.717573 | Delta: 6.47e-03 | M: 4039.1110 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -17.709388 | Delta: 8.18e-03 | M: 52.1507 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0617 | Energy: -17.705974 | Delta: 3.41e-03 | M: 52.7255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0618 | Energy: -17.703501 | Delta: 2.47e-03 | M: 57.6727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0619 | Energy: -17.708855 | Delta: 5.35e-03 | M: 4044.2272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0620 | Energy: -17.719507 | Delta: 1.07e-02 | M: 3724.0216 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -17.708437 | Delta: 1.11e-02 | M: 133.9896 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0622 | Energy: -17.721373 | Delta: 1.29e-02 | M: 31.6868 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0623 | Energy: -17.717349 | Delta: 4.02e-03 | M: 4504.3608 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0624 | Energy: -17.719159 | Delta: 1.81e-03 | M: 32.1558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0625 | Energy: -17.726720 | Delta: 7.56e-03 | M: 118.4252 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -17.732049 | Delta: 5.33e-03 | M: 3672.4198 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0627 | Energy: -17.738244 | Delta: 6.19e-03 | M: 4.3289 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0628 | Energy: -17.732673 | Delta: 5.57e-03 | M: 15.1606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0629 | Energy: -17.728952 | Delta: 3.72e-03 | M: 6.4183 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0630 | Energy: -17.734992 | Delta: 6.04e-03 | M: 6.6110 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -17.736672 | Delta: 1.68e-03 | M: 3628.3089 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0632 | Energy: -17.729391 | Delta: 7.28e-03 | M: 33.5054 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0633 | Energy: -17.736057 | Delta: 6.67e-03 | M: 4178.4781 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0634 | Energy: -17.732245 | Delta: 3.81e-03 | M: 51.7521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0635 | Energy: -17.734859 | Delta: 2.61e-03 | M: 28.1373 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -17.736248 | Delta: 1.39e-03 | M: 19.5648 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0637 | Energy: -17.741449 | Delta: 5.20e-03 | M: 61.9790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0638 | Energy: -17.736602 | Delta: 4.85e-03 | M: 1.3312 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0639 | Energy: -17.739532 | Delta: 2.93e-03 | M: 3.9068 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0640 | Energy: -17.738538 | Delta: 9.94e-04 | M: 30.1953 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -17.750764 | Delta: 1.22e-02 | M: 81.3130 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0642 | Energy: -17.745549 | Delta: 5.21e-03 | M: 4.7985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0643 | Energy: -17.747739 | Delta: 2.19e-03 | M: 28.3087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0644 | Energy: -17.745802 | Delta: 1.94e-03 | M: 4412.0062 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0645 | Energy: -17.744086 | Delta: 1.72e-03 | M: 3894.1764 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -17.744313 | Delta: 2.27e-04 | M: 3119.5975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0647 | Energy: -17.752655 | Delta: 8.34e-03 | M: 28.9717 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0648 | Energy: -17.757646 | Delta: 4.99e-03 | M: 2.9452 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0649 | Energy: -17.753233 | Delta: 4.41e-03 | M: 3261.8541 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0650 | Energy: -17.750791 | Delta: 2.44e-03 | M: 29.0291 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -17.753854 | Delta: 3.06e-03 | M: 48.5211 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0652 | Energy: -17.761792 | Delta: 7.94e-03 | M: 3.9946 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0653 | Energy: -17.740135 | Delta: 2.17e-02 | M: 4098.8335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0654 | Energy: -17.761382 | Delta: 2.12e-02 | M: 28.8695 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0655 | Energy: -17.754487 | Delta: 6.90e-03 | M: 57.3944 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -17.763198 | Delta: 8.71e-03 | M: 52.4867 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0657 | Energy: -17.761815 | Delta: 1.38e-03 | M: 3352.3174 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0658 | Energy: -17.764598 | Delta: 2.78e-03 | M: 4.8169 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0659 | Energy: -17.763758 | Delta: 8.40e-04 | M: 53.9007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0660 | Energy: -17.762883 | Delta: 8.75e-04 | M: 3505.4021 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -17.767680 | Delta: 4.80e-03 | M: 3111.2011 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0662 | Energy: -17.766555 | Delta: 1.13e-03 | M: 3246.2342 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0663 | Energy: -17.769534 | Delta: 2.98e-03 | M: 2.4185 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0664 | Energy: -17.762606 | Delta: 6.93e-03 | M: 2.0083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0665 | Energy: -17.772121 | Delta: 9.51e-03 | M: 5.7337 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -17.767377 | Delta: 4.74e-03 | M: 3889.7689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0667 | Energy: -17.768111 | Delta: 7.34e-04 | M: 2.6300 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0668 | Energy: -17.765017 | Delta: 3.09e-03 | M: 5.6120 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0669 | Energy: -17.779875 | Delta: 1.49e-02 | M: 11.4210 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0670 | Energy: -17.777903 | Delta: 1.97e-03 | M: 10.2609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -17.775660 | Delta: 2.24e-03 | M: 11.4520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0672 | Energy: -17.783454 | Delta: 7.79e-03 | M: 2.9355 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0673 | Energy: -17.778045 | Delta: 5.41e-03 | M: 48.0447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0674 | Energy: -17.775225 | Delta: 2.82e-03 | M: 17.5377 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0675 | Energy: -17.774096 | Delta: 1.13e-03 | M: 50.3340 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -17.772431 | Delta: 1.67e-03 | M: 29.4036 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0677 | Energy: -17.790115 | Delta: 1.77e-02 | M: 2309.8318 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0678 | Energy: -17.767013 | Delta: 2.31e-02 | M: 3875.2884 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0679 | Energy: -17.777221 | Delta: 1.02e-02 | M: 76.0070 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0680 | Energy: -17.780745 | Delta: 3.52e-03 | M: 62.6309 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -17.788507 | Delta: 7.76e-03 | M: 16.6646 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0682 | Energy: -17.772525 | Delta: 1.60e-02 | M: 2602.2154 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0683 | Energy: -17.792507 | Delta: 2.00e-02 | M: 9.6970 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0684 | Energy: -17.791917 | Delta: 5.91e-04 | M: 3.1176 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0685 | Energy: -17.784166 | Delta: 7.75e-03 | M: 4.7017 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -17.791277 | Delta: 7.11e-03 | M: 50.2704 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0687 | Energy: -17.793641 | Delta: 2.36e-03 | M: 28.1803 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0688 | Energy: -17.799285 | Delta: 5.64e-03 | M: 27.5473 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0689 | Energy: -17.798472 | Delta: 8.13e-04 | M: 50.8254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0690 | Energy: -17.806395 | Delta: 7.92e-03 | M: 375.7613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -17.802390 | Delta: 4.00e-03 | M: 4098.4512 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0692 | Energy: -17.796820 | Delta: 5.57e-03 | M: 52.3971 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0693 | Energy: -17.793661 | Delta: 3.16e-03 | M: 59.2396 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0694 | Energy: -17.805662 | Delta: 1.20e-02 | M: 5.3074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0695 | Energy: -17.800451 | Delta: 5.21e-03 | M: 1.9840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -17.813668 | Delta: 1.32e-02 | M: 3.8115 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0697 | Energy: -17.800056 | Delta: 1.36e-02 | M: 1.4883 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0698 | Energy: -17.797993 | Delta: 2.06e-03 | M: 9.5075 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0699 | Energy: -17.811103 | Delta: 1.31e-02 | M: 10.9840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0700 | Energy: -17.812230 | Delta: 1.13e-03 | M: 31.5935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -17.801074 | Delta: 1.12e-02 | M: 11.1964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0702 | Energy: -17.802792 | Delta: 1.72e-03 | M: 3172.9184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0703 | Energy: -17.815126 | Delta: 1.23e-02 | M: 5282.0910 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0704 | Energy: -17.817905 | Delta: 2.78e-03 | M: 3538.8734 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0705 | Energy: -17.814501 | Delta: 3.40e-03 | M: 1.5749 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -17.812004 | Delta: 2.50e-03 | M: 36.5310 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0707 | Energy: -17.823452 | Delta: 1.14e-02 | M: 52.7690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0708 | Energy: -17.813527 | Delta: 9.92e-03 | M: 21.5444 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0709 | Energy: -17.814484 | Delta: 9.57e-04 | M: 14.1878 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0710 | Energy: -17.808739 | Delta: 5.75e-03 | M: 4213.7191 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -17.809748 | Delta: 1.01e-03 | M: 3880.1043 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0712 | Energy: -17.816920 | Delta: 7.17e-03 | M: 28.7941 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0713 | Energy: -17.819039 | Delta: 2.12e-03 | M: 22.0007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0714 | Energy: -17.817004 | Delta: 2.04e-03 | M: 30.2957 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0715 | Energy: -17.829438 | Delta: 1.24e-02 | M: 3243.1573 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -17.823100 | Delta: 6.34e-03 | M: 36.1366 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0717 | Energy: -17.826574 | Delta: 3.47e-03 | M: 3524.6429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0718 | Energy: -17.825877 | Delta: 6.96e-04 | M: 10.6391 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0719 | Energy: -17.832843 | Delta: 6.97e-03 | M: 21.5151 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0720 | Energy: -17.828824 | Delta: 4.02e-03 | M: 50.7669 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -17.831990 | Delta: 3.17e-03 | M: 29.9689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0722 | Energy: -17.841554 | Delta: 9.56e-03 | M: 3.9860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0723 | Energy: -17.828447 | Delta: 1.31e-02 | M: 4.2638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0724 | Energy: -17.832748 | Delta: 4.30e-03 | M: 4.3965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0725 | Energy: -17.834468 | Delta: 1.72e-03 | M: 4.8858 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -17.844131 | Delta: 9.66e-03 | M: 4214.4494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0727 | Energy: -17.842083 | Delta: 2.05e-03 | M: 53.7205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0728 | Energy: -17.844603 | Delta: 2.52e-03 | M: 28.9780 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0729 | Energy: -17.838216 | Delta: 6.39e-03 | M: 3478.6194 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0730 | Energy: -17.845435 | Delta: 7.22e-03 | M: 30.6762 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -17.844074 | Delta: 1.36e-03 | M: 22.2574 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0732 | Energy: -17.841299 | Delta: 2.78e-03 | M: 28.9321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0733 | Energy: -17.837131 | Delta: 4.17e-03 | M: 3795.4681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0734 | Energy: -17.850637 | Delta: 1.35e-02 | M: 9.1647 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0735 | Energy: -17.839873 | Delta: 1.08e-02 | M: 4574.3973 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -17.837496 | Delta: 2.38e-03 | M: 4204.0852 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0737 | Energy: -17.842311 | Delta: 4.82e-03 | M: 3634.8099 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0738 | Energy: -17.853571 | Delta: 1.13e-02 | M: 28.9539 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0739 | Energy: -17.848496 | Delta: 5.08e-03 | M: 68.5771 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0740 | Energy: -17.847151 | Delta: 1.35e-03 | M: 38.1872 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -17.841200 | Delta: 5.95e-03 | M: 3719.5275 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0742 | Energy: -17.850992 | Delta: 9.79e-03 | M: 3694.5797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0743 | Energy: -17.848477 | Delta: 2.51e-03 | M: 6.9385 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0744 | Energy: -17.853880 | Delta: 5.40e-03 | M: 5.0339 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0745 | Energy: -17.857783 | Delta: 3.90e-03 | M: 4351.0712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -17.857961 | Delta: 1.79e-04 | M: 4092.5085 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0747 | Energy: -17.849887 | Delta: 8.07e-03 | M: 78.4204 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0748 | Energy: -17.850771 | Delta: 8.84e-04 | M: 1.4954 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0749 | Energy: -17.859453 | Delta: 8.68e-03 | M: 8.0291 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0750 | Energy: -17.849665 | Delta: 9.79e-03 | M: 2384.3968 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -17.855668 | Delta: 6.00e-03 | M: 4326.9919 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0752 | Energy: -17.855537 | Delta: 1.31e-04 | M: 3.5408 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0753 | Energy: -17.854681 | Delta: 8.56e-04 | M: 2.2838 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0754 | Energy: -17.850791 | Delta: 3.89e-03 | M: 1.5676 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0755 | Energy: -17.858382 | Delta: 7.59e-03 | M: 3.1650 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -17.861193 | Delta: 2.81e-03 | M: 1.3014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0757 | Energy: -17.862302 | Delta: 1.11e-03 | M: 4.2132 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0758 | Energy: -17.867077 | Delta: 4.77e-03 | M: 1.8726 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0759 | Energy: -17.867233 | Delta: 1.56e-04 | M: 13.6440 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0760 | Energy: -17.867882 | Delta: 6.50e-04 | M: 19.3256 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -17.860779 | Delta: 7.10e-03 | M: 46.8353 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0762 | Energy: -17.867043 | Delta: 6.26e-03 | M: 4247.5689 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0763 | Energy: -17.860957 | Delta: 6.09e-03 | M: 4143.8637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0764 | Energy: -17.867024 | Delta: 6.07e-03 | M: 52.2469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0765 | Energy: -17.866428 | Delta: 5.96e-04 | M: 27.6606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -17.874322 | Delta: 7.89e-03 | M: 4234.2504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0767 | Energy: -17.865694 | Delta: 8.63e-03 | M: 47.5921 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0768 | Energy: -17.874730 | Delta: 9.04e-03 | M: 1.9636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0769 | Energy: -17.853629 | Delta: 2.11e-02 | M: 7.3760 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0770 | Energy: -17.874479 | Delta: 2.09e-02 | M: 45.7150 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -17.869673 | Delta: 4.81e-03 | M: 51.1000 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0772 | Energy: -17.865886 | Delta: 3.79e-03 | M: 60.4933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0773 | Energy: -17.863613 | Delta: 2.27e-03 | M: 3.8227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0774 | Energy: -17.881015 | Delta: 1.74e-02 | M: 2895.0565 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0775 | Energy: -17.865043 | Delta: 1.60e-02 | M: 43.2666 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -17.884259 | Delta: 1.92e-02 | M: 4.3204 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0777 | Energy: -17.879766 | Delta: 4.49e-03 | M: 4.3840 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0778 | Energy: -17.867683 | Delta: 1.21e-02 | M: 4227.3317 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0779 | Energy: -17.885678 | Delta: 1.80e-02 | M: 574.0200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0780 | Energy: -17.878307 | Delta: 7.37e-03 | M: 12.2548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -17.876351 | Delta: 1.96e-03 | M: 5302.2577 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0782 | Energy: -17.878339 | Delta: 1.99e-03 | M: 54.0347 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0783 | Energy: -17.869064 | Delta: 9.27e-03 | M: 2.2927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0784 | Energy: -17.886568 | Delta: 1.75e-02 | M: 3433.6051 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0785 | Energy: -17.888724 | Delta: 2.16e-03 | M: 26.2200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -17.881898 | Delta: 6.83e-03 | M: 61.6768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0787 | Energy: -17.873736 | Delta: 8.16e-03 | M: 3358.0156 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0788 | Energy: -17.878161 | Delta: 4.43e-03 | M: 3693.2273 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0789 | Energy: -17.876909 | Delta: 1.25e-03 | M: 46.9490 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0790 | Energy: -17.887669 | Delta: 1.08e-02 | M: 2.0723 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -17.877336 | Delta: 1.03e-02 | M: 3044.8561 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0792 | Energy: -17.885503 | Delta: 8.17e-03 | M: 8.4636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0793 | Energy: -17.883253 | Delta: 2.25e-03 | M: 3079.6061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0794 | Energy: -17.889387 | Delta: 6.13e-03 | M: 2.5888 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0795 | Energy: -17.873762 | Delta: 1.56e-02 | M: 26.7595 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -17.883566 | Delta: 9.80e-03 | M: 30.3800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0797 | Energy: -17.892524 | Delta: 8.96e-03 | M: 4245.5614 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0798 | Energy: -17.874482 | Delta: 1.80e-02 | M: 56.7716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0799 | Energy: -17.888313 | Delta: 1.38e-02 | M: 3764.3660 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0800 | Energy: -17.892205 | Delta: 3.89e-03 | M: 4590.9546 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -17.880531 | Delta: 1.17e-02 | M: 1.5746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0802 | Energy: -17.886060 | Delta: 5.53e-03 | M: 10.7651 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0803 | Energy: -17.888240 | Delta: 2.18e-03 | M: 19.9288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0804 | Energy: -17.880836 | Delta: 7.40e-03 | M: 33.0627 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0805 | Energy: -17.891796 | Delta: 1.10e-02 | M: 38.5096 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -17.884953 | Delta: 6.84e-03 | M: 4160.4552 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0807 | Energy: -17.891465 | Delta: 6.51e-03 | M: 1.6583 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0808 | Energy: -17.888889 | Delta: 2.58e-03 | M: 1.7711 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0809 | Energy: -17.897272 | Delta: 8.38e-03 | M: 3033.6918 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0810 | Energy: -17.884718 | Delta: 1.26e-02 | M: 30.8173 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -17.901051 | Delta: 1.63e-02 | M: 5.4641 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0812 | Energy: -17.896501 | Delta: 4.55e-03 | M: 12.9506 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0813 | Energy: -17.887077 | Delta: 9.42e-03 | M: 34.1082 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0814 | Energy: -17.898602 | Delta: 1.15e-02 | M: 54.2716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0815 | Energy: -17.900209 | Delta: 1.61e-03 | M: 2.5196 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -17.890619 | Delta: 9.59e-03 | M: 3669.7392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0817 | Energy: -17.891726 | Delta: 1.11e-03 | M: 12.2251 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0818 | Energy: -17.907873 | Delta: 1.61e-02 | M: 47.5793 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0819 | Energy: -17.893797 | Delta: 1.41e-02 | M: 45.9071 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0820 | Energy: -17.900078 | Delta: 6.28e-03 | M: 22.7479 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -17.905801 | Delta: 5.72e-03 | M: 2993.3000 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0822 | Energy: -17.908014 | Delta: 2.21e-03 | M: 3618.2834 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0823 | Energy: -17.915575 | Delta: 7.56e-03 | M: 1.4950 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0824 | Energy: -17.896199 | Delta: 1.94e-02 | M: 3334.4267 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0825 | Energy: -17.910935 | Delta: 1.47e-02 | M: 59.4150 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -17.912055 | Delta: 1.12e-03 | M: 2927.1288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0827 | Energy: -17.907696 | Delta: 4.36e-03 | M: 3483.4281 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0828 | Energy: -17.909768 | Delta: 2.07e-03 | M: 33.5642 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0829 | Energy: -17.900921 | Delta: 8.85e-03 | M: 27.1091 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0830 | Energy: -17.907881 | Delta: 6.96e-03 | M: 19.5220 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -17.914785 | Delta: 6.90e-03 | M: 29.1801 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0832 | Energy: -17.908626 | Delta: 6.16e-03 | M: 48.8034 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0833 | Energy: -17.906757 | Delta: 1.87e-03 | M: 63.3429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0834 | Energy: -17.911829 | Delta: 5.07e-03 | M: 24.8816 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0835 | Energy: -17.920781 | Delta: 8.95e-03 | M: 3.3199 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -17.916112 | Delta: 4.67e-03 | M: 4894.7657 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0837 | Energy: -17.921113 | Delta: 5.00e-03 | M: 2825.7685 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0838 | Energy: -17.914304 | Delta: 6.81e-03 | M: 4.5150 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0839 | Energy: -17.916749 | Delta: 2.45e-03 | M: 41.3133 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0840 | Energy: -17.919973 | Delta: 3.22e-03 | M: 643.8628 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -17.919677 | Delta: 2.97e-04 | M: 34.9898 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0842 | Energy: -17.925762 | Delta: 6.09e-03 | M: 23.7813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0843 | Energy: -17.915594 | Delta: 1.02e-02 | M: 3609.1365 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0844 | Energy: -17.916819 | Delta: 1.23e-03 | M: 36.8690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0845 | Energy: -17.917911 | Delta: 1.09e-03 | M: 2246.1113 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -17.919722 | Delta: 1.81e-03 | M: 5.2820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0847 | Energy: -17.919370 | Delta: 3.53e-04 | M: 4836.4708 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0848 | Energy: -17.926097 | Delta: 6.73e-03 | M: 50.2126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0849 | Energy: -17.920668 | Delta: 5.43e-03 | M: 56.5218 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0850 | Energy: -17.922002 | Delta: 1.33e-03 | M: 30.8998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -17.929752 | Delta: 7.75e-03 | M: 30.1549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0852 | Energy: -17.921696 | Delta: 8.06e-03 | M: 4.8499 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0853 | Energy: -17.919197 | Delta: 2.50e-03 | M: 4084.3274 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0854 | Energy: -17.929495 | Delta: 1.03e-02 | M: 5.2244 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0855 | Energy: -17.920498 | Delta: 9.00e-03 | M: 8.2514 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -17.933246 | Delta: 1.27e-02 | M: 6.6082 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0857 | Energy: -17.928227 | Delta: 5.02e-03 | M: 1.8448 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0858 | Energy: -17.922372 | Delta: 5.85e-03 | M: 7.1209 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0859 | Energy: -17.932913 | Delta: 1.05e-02 | M: 3653.6364 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0860 | Energy: -17.933756 | Delta: 8.43e-04 | M: 1.9915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -17.933531 | Delta: 2.25e-04 | M: 39.5248 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0862 | Energy: -17.927405 | Delta: 6.13e-03 | M: 694.7130 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0863 | Energy: -17.923218 | Delta: 4.19e-03 | M: 67.9496 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0864 | Energy: -17.925283 | Delta: 2.06e-03 | M: 1.7427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0865 | Energy: -17.935059 | Delta: 9.78e-03 | M: 4.4966 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -17.939903 | Delta: 4.84e-03 | M: 16.2427 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0867 | Energy: -17.940091 | Delta: 1.88e-04 | M: 28.7504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0868 | Energy: -17.940276 | Delta: 1.85e-04 | M: 4093.0988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0869 | Energy: -17.946334 | Delta: 6.06e-03 | M: 235.5823 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0870 | Energy: -17.934836 | Delta: 1.15e-02 | M: 59.2426 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -17.940470 | Delta: 5.63e-03 | M: 2370.2255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0872 | Energy: -17.949686 | Delta: 9.22e-03 | M: 2.7794 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0873 | Energy: -17.946114 | Delta: 3.57e-03 | M: 4325.6093 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0874 | Energy: -17.940375 | Delta: 5.74e-03 | M: 58.9599 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0875 | Energy: -17.947222 | Delta: 6.85e-03 | M: 4136.0127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -17.943548 | Delta: 3.67e-03 | M: 35.9614 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0877 | Energy: -17.948212 | Delta: 4.66e-03 | M: 6.9181 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0878 | Energy: -17.940944 | Delta: 7.27e-03 | M: 3.4304 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0879 | Energy: -17.946491 | Delta: 5.55e-03 | M: 65.3729 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0880 | Energy: -17.953289 | Delta: 6.80e-03 | M: 35.3360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -17.954479 | Delta: 1.19e-03 | M: 4539.7768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0882 | Energy: -17.944264 | Delta: 1.02e-02 | M: 2.6439 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0883 | Energy: -17.951679 | Delta: 7.42e-03 | M: 11.2681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0884 | Energy: -17.945661 | Delta: 6.02e-03 | M: 3880.8847 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0885 | Energy: -17.950423 | Delta: 4.76e-03 | M: 33.0232 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -17.942195 | Delta: 8.23e-03 | M: 4688.7121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0887 | Energy: -17.948812 | Delta: 6.62e-03 | M: 51.5333 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0888 | Energy: -17.956479 | Delta: 7.67e-03 | M: 28.2591 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0889 | Energy: -17.956607 | Delta: 1.28e-04 | M: 154.0381 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0890 | Energy: -17.954958 | Delta: 1.65e-03 | M: 2576.4790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -17.958212 | Delta: 3.25e-03 | M: 7.8727 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0892 | Energy: -17.951669 | Delta: 6.54e-03 | M: 15.5539 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0893 | Energy: -17.954108 | Delta: 2.44e-03 | M: 51.7776 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0894 | Energy: -17.951670 | Delta: 2.44e-03 | M: 3516.1236 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0895 | Energy: -17.951701 | Delta: 3.15e-05 | M: 28.6579 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/BeH2/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -17.948102 | Delta: 3.60e-03 | M: 19.4763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[VQE] Best physical energy: -15.555709 Ha (error: 0.0394 Ha) at iter 261 -[VQE] Final energy -17.948102 is below FCI - reporting best physical result - -[BeH2] Ansatz tier:hwe_adaptive -[BeH2] Corr score: 0.501 -[BeH2] Best physical energy: -15.555709 Ha -[BeH2] Reference FCI : -15.595118 Ha -[BeH2] Absolute error: +0.0394 Ha -[BeH2] Iterations run: 896 (best at iter 261) -[BeH2] Wall time: 177.69s (includes QPU queue + RTT) -[BeH2] Time/iter: 0.20 s -[BeH2] Source: registry -[BeH2] Active electrons: 4 -[BeH2] Estimated qubits: 12 -[BeH2] Note: Frozen 2 core electrons. Active space: 4 electrons, 12 qubits - - ---- RUNNING CHEMISTRY TASK H2O --- -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.372252 | Delta: inf | M: 1.9873 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -3.086089 | Delta: 2.86e-01 | M: 3290.9099 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -3.538012 | Delta: 4.52e-01 | M: 49.3995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -8.634443 | Delta: 5.10e+00 | M: 94.5274 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -12.952978 | Delta: 4.32e+00 | M: 4703.5014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -22.035908 | Delta: 9.08e+00 | M: 3.8820 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -41.801752 | Delta: 1.98e+01 | M: 3662.1422 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -41.731292 | Delta: 7.05e-02 | M: 3862.5777 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -41.861514 | Delta: 1.30e-01 | M: 5227.0272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -43.069333 | Delta: 1.21e+00 | M: 4919.0697 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -47.304159 | Delta: 4.23e+00 | M: 5018.8303 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0012 | Energy: -52.141461 | Delta: 4.84e+00 | M: 4849.0501 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0013 | Energy: -58.041127 | Delta: 5.90e+00 | M: 29.7851 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0014 | Energy: -58.782722 | Delta: 7.42e-01 | M: 3639.3029 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0015 | Energy: -59.108855 | Delta: 3.26e-01 | M: 4633.1076 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0015.npy. -Iter 0016 | Energy: -59.107712 | Delta: 1.14e-03 | M: 5077.4687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0017 | Energy: -59.253636 | Delta: 1.46e-01 | M: 8.7051 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0018 | Energy: -59.657562 | Delta: 4.04e-01 | M: 55.3617 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0019 | Energy: -59.776690 | Delta: 1.19e-01 | M: 3.1786 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0020 | Energy: -60.022895 | Delta: 2.46e-01 | M: 4.5620 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 20: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0020.npy. -Iter 0021 | Energy: -60.407839 | Delta: 3.85e-01 | M: 4535.0922 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0022 | Energy: -60.448116 | Delta: 4.03e-02 | M: 5238.0343 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0023 | Energy: -60.668313 | Delta: 2.20e-01 | M: 4528.0530 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0024 | Energy: -60.723607 | Delta: 5.53e-02 | M: 3559.3070 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0025 | Energy: -61.170939 | Delta: 4.47e-01 | M: 6.3401 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 25: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0025.npy. -Iter 0026 | Energy: -64.376332 | Delta: 3.21e+00 | M: 87.8933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0027 | Energy: -64.573487 | Delta: 1.97e-01 | M: 53.1412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0028 | Energy: -67.131535 | Delta: 2.56e+00 | M: 4644.7927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0029 | Energy: -67.256193 | Delta: 1.25e-01 | M: 4318.3528 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0030 | Energy: -68.397780 | Delta: 1.14e+00 | M: 4773.2294 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 30: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0030.npy. -Iter 0031 | Energy: -68.658456 | Delta: 2.61e-01 | M: 4394.5157 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0032 | Energy: -72.246680 | Delta: 3.59e+00 | M: 3745.8385 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0033 | Energy: -72.284873 | Delta: 3.82e-02 | M: 3235.1794 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0034 | Energy: -73.816726 | Delta: 1.53e+00 | M: 4113.5984 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0035 | Energy: -73.988863 | Delta: 1.72e-01 | M: 3775.1964 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 35: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0035.npy. -Iter 0036 | Energy: -74.718277 | Delta: 7.29e-01 | M: 4714.0061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0037 | Energy: -74.792123 | Delta: 7.38e-02 | M: 4490.3052 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -NOTE: Energy -75.0827 crossed below FCI -75.0124 at iter 38 - HWE ansatz leaving physical sector (expected limitation) -Iter 0038 | Energy: -75.082724 | Delta: 2.91e-01 | M: 3438.6149 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0039 | Energy: -75.073802 | Delta: 8.92e-03 | M: 4969.8010 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0040 | Energy: -75.652345 | Delta: 5.79e-01 | M: 4939.2995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 40: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0040.npy. -Iter 0041 | Energy: -75.708641 | Delta: 5.63e-02 | M: 4391.7526 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0042 | Energy: -75.745708 | Delta: 3.71e-02 | M: 120.5867 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0043 | Energy: -75.743097 | Delta: 2.61e-03 | M: 4615.0064 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0044 | Energy: -75.930972 | Delta: 1.88e-01 | M: 4202.2988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0045 | Energy: -75.991241 | Delta: 6.03e-02 | M: 4549.2229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 45: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0045.npy. -Iter 0046 | Energy: -76.121235 | Delta: 1.30e-01 | M: 42.9782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0047 | Energy: -76.583062 | Delta: 4.62e-01 | M: 4144.8165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0048 | Energy: -77.122689 | Delta: 5.40e-01 | M: 5.4217 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0049 | Energy: -77.424598 | Delta: 3.02e-01 | M: 7.3791 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0050 | Energy: -77.417361 | Delta: 7.24e-03 | M: 4.7105 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 50: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0050.npy. -Iter 0051 | Energy: -77.486141 | Delta: 6.88e-02 | M: 4932.2288 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0052 | Energy: -77.689883 | Delta: 2.04e-01 | M: 4858.2633 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0053 | Energy: -77.807999 | Delta: 1.18e-01 | M: 4401.0111 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0054 | Energy: -77.824985 | Delta: 1.70e-02 | M: 4.6419 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0055 | Energy: -78.010696 | Delta: 1.86e-01 | M: 4245.4997 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 55: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0055.npy. -Iter 0056 | Energy: -78.091333 | Delta: 8.06e-02 | M: 3542.4182 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0057 | Energy: -78.119199 | Delta: 2.79e-02 | M: 5.3844 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0058 | Energy: -78.210017 | Delta: 9.08e-02 | M: 4536.2160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0059 | Energy: -78.334762 | Delta: 1.25e-01 | M: 8.2776 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0060 | Energy: -78.409454 | Delta: 7.47e-02 | M: 4447.9426 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 60: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0060.npy. -Iter 0061 | Energy: -78.489287 | Delta: 7.98e-02 | M: 56.1858 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0062 | Energy: -78.535080 | Delta: 4.58e-02 | M: 71.7138 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0063 | Energy: -78.601259 | Delta: 6.62e-02 | M: 3900.7442 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0064 | Energy: -78.816412 | Delta: 2.15e-01 | M: 8.1009 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0065 | Energy: -78.885010 | Delta: 6.86e-02 | M: 28.2112 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 65: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0065.npy. -Iter 0066 | Energy: -79.011539 | Delta: 1.27e-01 | M: 3664.9076 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0067 | Energy: -79.012091 | Delta: 5.51e-04 | M: 4134.0626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0068 | Energy: -79.039318 | Delta: 2.72e-02 | M: 17.1371 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0069 | Energy: -79.285657 | Delta: 2.46e-01 | M: 3750.6508 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0070 | Energy: -79.273292 | Delta: 1.24e-02 | M: 20.7651 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 70: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0070.npy. -Iter 0071 | Energy: -79.275286 | Delta: 1.99e-03 | M: 9.9558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0072 | Energy: -79.356840 | Delta: 8.16e-02 | M: 11.0446 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0073 | Energy: -79.365608 | Delta: 8.77e-03 | M: 4871.0847 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0074 | Energy: -79.361994 | Delta: 3.61e-03 | M: 6.4264 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0075 | Energy: -79.475059 | Delta: 1.13e-01 | M: 4151.8220 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 75: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0075.npy. -Iter 0076 | Energy: -79.496683 | Delta: 2.16e-02 | M: 4178.2245 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0077 | Energy: -79.669545 | Delta: 1.73e-01 | M: 57.3103 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0078 | Energy: -79.678745 | Delta: 9.20e-03 | M: 5735.5593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0079 | Energy: -79.692223 | Delta: 1.35e-02 | M: 52.8262 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0080 | Energy: -79.684103 | Delta: 8.12e-03 | M: 4693.3833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 80: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0080.npy. -Iter 0081 | Energy: -79.777753 | Delta: 9.37e-02 | M: 76.4407 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0082 | Energy: -79.801871 | Delta: 2.41e-02 | M: 49.1624 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0083 | Energy: -79.857525 | Delta: 5.57e-02 | M: 4953.7783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0084 | Energy: -79.865546 | Delta: 8.02e-03 | M: 5118.4520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0085 | Energy: -79.864275 | Delta: 1.27e-03 | M: 4690.2151 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 85: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0085.npy. -Iter 0086 | Energy: -79.858531 | Delta: 5.74e-03 | M: 4552.1223 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0087 | Energy: -79.885583 | Delta: 2.71e-02 | M: 19.7909 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0088 | Energy: -79.915755 | Delta: 3.02e-02 | M: 5084.0121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0089 | Energy: -79.911209 | Delta: 4.55e-03 | M: 4360.8846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0090 | Energy: -80.009208 | Delta: 9.80e-02 | M: 5286.7110 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 90: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0090.npy. -Iter 0091 | Energy: -80.047342 | Delta: 3.81e-02 | M: 5749.8082 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0092 | Energy: -80.064039 | Delta: 1.67e-02 | M: 4051.4420 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0093 | Energy: -80.078583 | Delta: 1.45e-02 | M: 3832.5996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0094 | Energy: -80.122022 | Delta: 4.34e-02 | M: 46.0243 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0095 | Energy: -80.104013 | Delta: 1.80e-02 | M: 4.0053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 95: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0095.npy. -Iter 0096 | Energy: -80.102728 | Delta: 1.29e-03 | M: 3862.9712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0097 | Energy: -80.120782 | Delta: 1.81e-02 | M: 2.1292 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0098 | Energy: -80.137925 | Delta: 1.71e-02 | M: 1.8516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0099 | Energy: -80.160162 | Delta: 2.22e-02 | M: 3.2538 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0100 | Energy: -80.183386 | Delta: 2.32e-02 | M: 3000.9187 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 100: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0100.npy. -Iter 0101 | Energy: -80.229441 | Delta: 4.61e-02 | M: 3590.0199 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0102 | Energy: -80.271818 | Delta: 4.24e-02 | M: 11.7782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0103 | Energy: -80.294274 | Delta: 2.25e-02 | M: 3.4387 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0104 | Energy: -80.319048 | Delta: 2.48e-02 | M: 3.4672 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0105 | Energy: -80.357329 | Delta: 3.83e-02 | M: 4295.0464 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 105: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0105.npy. -Iter 0106 | Energy: -80.375310 | Delta: 1.80e-02 | M: 4070.2716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0107 | Energy: -80.363953 | Delta: 1.14e-02 | M: 4.2265 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0108 | Energy: -80.409255 | Delta: 4.53e-02 | M: 3993.3145 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0109 | Energy: -80.440130 | Delta: 3.09e-02 | M: 52.8548 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0110 | Energy: -80.432970 | Delta: 7.16e-03 | M: 4215.6334 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 110: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0110.npy. -Iter 0111 | Energy: -80.450021 | Delta: 1.71e-02 | M: 44.5998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0112 | Energy: -80.448529 | Delta: 1.49e-03 | M: 2.9286 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0113 | Energy: -80.456080 | Delta: 7.55e-03 | M: 3.2069 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0114 | Energy: -80.512582 | Delta: 5.65e-02 | M: 23.4127 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0115 | Energy: -80.493532 | Delta: 1.91e-02 | M: 32.4787 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 115: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0115.npy. -Iter 0116 | Energy: -80.497291 | Delta: 3.76e-03 | M: 5561.3437 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0117 | Energy: -80.511304 | Delta: 1.40e-02 | M: 2.1306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0118 | Energy: -80.563333 | Delta: 5.20e-02 | M: 1.4040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0119 | Energy: -80.598274 | Delta: 3.49e-02 | M: 21.0858 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0120 | Energy: -80.643509 | Delta: 4.52e-02 | M: 4492.8656 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 120: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0120.npy. -Iter 0121 | Energy: -80.689600 | Delta: 4.61e-02 | M: 4955.6017 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0122 | Energy: -80.699466 | Delta: 9.87e-03 | M: 3695.2347 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0123 | Energy: -80.738593 | Delta: 3.91e-02 | M: 31.0327 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0124 | Energy: -80.753004 | Delta: 1.44e-02 | M: 4327.3413 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0125 | Energy: -80.755995 | Delta: 2.99e-03 | M: 4118.9274 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 125: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0125.npy. -Iter 0126 | Energy: -80.737520 | Delta: 1.85e-02 | M: 3142.3299 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0127 | Energy: -80.743128 | Delta: 5.61e-03 | M: 5755.4544 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0128 | Energy: -80.763172 | Delta: 2.00e-02 | M: 4058.5130 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0129 | Energy: -80.794106 | Delta: 3.09e-02 | M: 5.4393 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0130 | Energy: -80.777741 | Delta: 1.64e-02 | M: 2.6370 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 130: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0130.npy. -Iter 0131 | Energy: -80.782321 | Delta: 4.58e-03 | M: 3310.3350 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0132 | Energy: -80.805593 | Delta: 2.33e-02 | M: 3024.0947 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0133 | Energy: -80.822961 | Delta: 1.74e-02 | M: 47.7037 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0134 | Energy: -80.807614 | Delta: 1.53e-02 | M: 3.7492 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0135 | Energy: -80.812390 | Delta: 4.78e-03 | M: 3438.5722 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 135: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0135.npy. -Iter 0136 | Energy: -80.809713 | Delta: 2.68e-03 | M: 1.7965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0137 | Energy: -80.815385 | Delta: 5.67e-03 | M: 3337.6052 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0138 | Energy: -80.831187 | Delta: 1.58e-02 | M: 3705.3277 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0139 | Energy: -80.848581 | Delta: 1.74e-02 | M: 3736.6001 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0140 | Energy: -80.843182 | Delta: 5.40e-03 | M: 3661.6175 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 140: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0140.npy. -Iter 0141 | Energy: -80.850076 | Delta: 6.89e-03 | M: 3912.3469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0142 | Energy: -80.854803 | Delta: 4.73e-03 | M: 3.7703 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0143 | Energy: -80.840061 | Delta: 1.47e-02 | M: 223.8066 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0144 | Energy: -80.857683 | Delta: 1.76e-02 | M: 1.6678 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0145 | Energy: -80.877200 | Delta: 1.95e-02 | M: 3708.7347 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 145: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0145.npy. -Iter 0146 | Energy: -80.897452 | Delta: 2.03e-02 | M: 30.9982 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0147 | Energy: -80.881467 | Delta: 1.60e-02 | M: 4859.5738 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0148 | Energy: -80.877999 | Delta: 3.47e-03 | M: 4632.9674 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0149 | Energy: -80.886314 | Delta: 8.31e-03 | M: 3501.9109 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0150 | Energy: -80.893246 | Delta: 6.93e-03 | M: 5233.1980 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 150: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0150.npy. -Iter 0151 | Energy: -80.889765 | Delta: 3.48e-03 | M: 4614.6093 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0152 | Energy: -80.885444 | Delta: 4.32e-03 | M: 3.7768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0153 | Energy: -80.873523 | Delta: 1.19e-02 | M: 4779.2856 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0154 | Energy: -80.908199 | Delta: 3.47e-02 | M: 4827.5401 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0155 | Energy: -80.927730 | Delta: 1.95e-02 | M: 3450.6754 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 155: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0155.npy. -Iter 0156 | Energy: -80.988069 | Delta: 6.03e-02 | M: 29.8129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0157 | Energy: -80.976269 | Delta: 1.18e-02 | M: 5445.9543 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0158 | Energy: -80.991528 | Delta: 1.53e-02 | M: 40.5773 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0159 | Energy: -81.004407 | Delta: 1.29e-02 | M: 3440.8693 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0160 | Energy: -81.002063 | Delta: 2.34e-03 | M: 3.7107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 160: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0160.npy. -Iter 0161 | Energy: -81.004366 | Delta: 2.30e-03 | M: 40.3721 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0162 | Energy: -81.021457 | Delta: 1.71e-02 | M: 57.0487 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0163 | Energy: -81.042859 | Delta: 2.14e-02 | M: 6380.5661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0164 | Energy: -81.027113 | Delta: 1.57e-02 | M: 30.9712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0165 | Energy: -81.034085 | Delta: 6.97e-03 | M: 2.4462 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 165: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0165.npy. -Iter 0166 | Energy: -81.045355 | Delta: 1.13e-02 | M: 9.8468 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0167 | Energy: -81.088641 | Delta: 4.33e-02 | M: 6400.1796 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0168 | Energy: -81.085161 | Delta: 3.48e-03 | M: 4614.4152 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0169 | Energy: -81.058858 | Delta: 2.63e-02 | M: 7289.2273 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0170 | Energy: -81.088997 | Delta: 3.01e-02 | M: 3782.8134 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 170: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0170.npy. -Iter 0171 | Energy: -81.080668 | Delta: 8.33e-03 | M: 3619.6269 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0172 | Energy: -81.094563 | Delta: 1.39e-02 | M: 5782.0080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0173 | Energy: -81.082457 | Delta: 1.21e-02 | M: 3830.9159 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0174 | Energy: -81.083848 | Delta: 1.39e-03 | M: 5250.9670 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0175 | Energy: -81.080585 | Delta: 3.26e-03 | M: 4915.3570 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 175: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0175.npy. -Iter 0176 | Energy: -81.082875 | Delta: 2.29e-03 | M: 7103.8080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0177 | Energy: -81.129663 | Delta: 4.68e-02 | M: 29.2585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0178 | Energy: -81.080355 | Delta: 4.93e-02 | M: 5046.9619 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0179 | Energy: -81.076434 | Delta: 3.92e-03 | M: 5969.4984 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0180 | Energy: -81.091522 | Delta: 1.51e-02 | M: 4449.3663 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 180: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0180.npy. -Iter 0181 | Energy: -81.139127 | Delta: 4.76e-02 | M: 5886.9516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0182 | Energy: -81.166630 | Delta: 2.75e-02 | M: 4377.8871 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0183 | Energy: -81.197747 | Delta: 3.11e-02 | M: 54.5920 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0184 | Energy: -81.165560 | Delta: 3.22e-02 | M: 4561.3762 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0185 | Energy: -81.164848 | Delta: 7.12e-04 | M: 25.1631 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 185: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0185.npy. -Iter 0186 | Energy: -81.175867 | Delta: 1.10e-02 | M: 4208.5632 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0187 | Energy: -81.205258 | Delta: 2.94e-02 | M: 4.2255 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0188 | Energy: -81.206541 | Delta: 1.28e-03 | M: 2.0259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0189 | Energy: -81.214902 | Delta: 8.36e-03 | M: 2.1962 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0190 | Energy: -81.222216 | Delta: 7.31e-03 | M: 4.1856 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 190: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0190.npy. -Iter 0191 | Energy: -81.230905 | Delta: 8.69e-03 | M: 4096.9139 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0192 | Energy: -81.224451 | Delta: 6.45e-03 | M: 35.8032 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0193 | Energy: -81.247403 | Delta: 2.30e-02 | M: 4697.7811 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0194 | Energy: -81.260941 | Delta: 1.35e-02 | M: 19.7584 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0195 | Energy: -81.244987 | Delta: 1.60e-02 | M: 4808.4566 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 195: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0195.npy. -Iter 0196 | Energy: -81.265512 | Delta: 2.05e-02 | M: 4650.6745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0197 | Energy: -81.280975 | Delta: 1.55e-02 | M: 4756.9519 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0198 | Energy: -81.249793 | Delta: 3.12e-02 | M: 5228.6213 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0199 | Energy: -81.261414 | Delta: 1.16e-02 | M: 4478.1696 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0200 | Energy: -81.339699 | Delta: 7.83e-02 | M: 96.1258 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 200: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0200.npy. -Iter 0201 | Energy: -81.352753 | Delta: 1.31e-02 | M: 23.5681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0202 | Energy: -81.381257 | Delta: 2.85e-02 | M: 17.3272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0203 | Energy: -81.363937 | Delta: 1.73e-02 | M: 4351.7212 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0204 | Energy: -81.381442 | Delta: 1.75e-02 | M: 3725.0775 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0205 | Energy: -81.378656 | Delta: 2.79e-03 | M: 3748.2420 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 205: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0205.npy. -Iter 0206 | Energy: -81.419491 | Delta: 4.08e-02 | M: 4379.5244 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0207 | Energy: -81.402854 | Delta: 1.66e-02 | M: 3802.1687 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0208 | Energy: -81.395738 | Delta: 7.12e-03 | M: 56.1121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0209 | Energy: -81.471360 | Delta: 7.56e-02 | M: 5435.9935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0210 | Energy: -81.425577 | Delta: 4.58e-02 | M: 4253.1522 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 210: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0210.npy. -Iter 0211 | Energy: -81.469958 | Delta: 4.44e-02 | M: 3998.4585 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0212 | Energy: -81.492111 | Delta: 2.22e-02 | M: 3717.5642 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0213 | Energy: -81.495311 | Delta: 3.20e-03 | M: 1.6793 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0214 | Energy: -81.481538 | Delta: 1.38e-02 | M: 3529.9613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0215 | Energy: -81.500634 | Delta: 1.91e-02 | M: 34.0126 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 215: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0215.npy. -Iter 0216 | Energy: -81.499632 | Delta: 1.00e-03 | M: 6374.0194 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0217 | Energy: -81.527269 | Delta: 2.76e-02 | M: 4457.3460 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0218 | Energy: -81.499978 | Delta: 2.73e-02 | M: 2.2611 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0219 | Energy: -81.530504 | Delta: 3.05e-02 | M: 4130.0760 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0220 | Energy: -81.508814 | Delta: 2.17e-02 | M: 3614.6203 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 220: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0220.npy. -Iter 0221 | Energy: -81.517097 | Delta: 8.28e-03 | M: 3954.1202 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0222 | Energy: -81.494043 | Delta: 2.31e-02 | M: 3.7413 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0223 | Energy: -81.522564 | Delta: 2.85e-02 | M: 8.0028 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0224 | Energy: -81.539991 | Delta: 1.74e-02 | M: 4751.7084 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0225 | Energy: -81.529568 | Delta: 1.04e-02 | M: 4662.9979 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 225: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0225.npy. -Iter 0226 | Energy: -81.519777 | Delta: 9.79e-03 | M: 4738.0948 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0227 | Energy: -81.567383 | Delta: 4.76e-02 | M: 6.8834 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0228 | Energy: -81.545138 | Delta: 2.22e-02 | M: 2.8321 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0229 | Energy: -81.563608 | Delta: 1.85e-02 | M: 4.6599 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0230 | Energy: -81.576557 | Delta: 1.29e-02 | M: 3587.3336 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 230: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0230.npy. -Iter 0231 | Energy: -81.570303 | Delta: 6.25e-03 | M: 3903.0808 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0232 | Energy: -81.552353 | Delta: 1.80e-02 | M: 4982.8059 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0233 | Energy: -81.552680 | Delta: 3.27e-04 | M: 5904.4911 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0234 | Energy: -81.553752 | Delta: 1.07e-03 | M: 3823.0869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0235 | Energy: -81.604538 | Delta: 5.08e-02 | M: 4650.7684 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 235: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0235.npy. -Iter 0236 | Energy: -81.596457 | Delta: 8.08e-03 | M: 4.2504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0237 | Energy: -81.597760 | Delta: 1.30e-03 | M: 4129.8565 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0238 | Energy: -81.595491 | Delta: 2.27e-03 | M: 4515.5654 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0239 | Energy: -81.583568 | Delta: 1.19e-02 | M: 4652.2141 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0240 | Energy: -81.539408 | Delta: 4.42e-02 | M: 4730.9175 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 240: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0240.npy. -Iter 0241 | Energy: -81.614240 | Delta: 7.48e-02 | M: 2.6720 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0242 | Energy: -81.626914 | Delta: 1.27e-02 | M: 4368.9842 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0243 | Energy: -81.627118 | Delta: 2.04e-04 | M: 3418.5594 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0244 | Energy: -81.634327 | Delta: 7.21e-03 | M: 4931.3340 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0245 | Energy: -81.607690 | Delta: 2.66e-02 | M: 3707.6997 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 245: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0245.npy. -Iter 0246 | Energy: -81.604656 | Delta: 3.03e-03 | M: 3.8134 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0247 | Energy: -81.626329 | Delta: 2.17e-02 | M: 3.8048 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0248 | Energy: -81.603155 | Delta: 2.32e-02 | M: 12.1961 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0249 | Energy: -81.611535 | Delta: 8.38e-03 | M: 1.7626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0250 | Energy: -81.589812 | Delta: 2.17e-02 | M: 3.9382 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 250: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0250.npy. -Iter 0251 | Energy: -81.601412 | Delta: 1.16e-02 | M: 100.1386 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0252 | Energy: -81.641519 | Delta: 4.01e-02 | M: 5.4436 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0253 | Energy: -81.644521 | Delta: 3.00e-03 | M: 4347.6293 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0254 | Energy: -81.647648 | Delta: 3.13e-03 | M: 5027.6549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0255 | Energy: -81.669551 | Delta: 2.19e-02 | M: 4286.4421 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 255: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0255.npy. -Iter 0256 | Energy: -81.642656 | Delta: 2.69e-02 | M: 4965.9928 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0257 | Energy: -81.661540 | Delta: 1.89e-02 | M: 4184.6335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0258 | Energy: -81.635558 | Delta: 2.60e-02 | M: 4951.4907 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0259 | Energy: -81.646889 | Delta: 1.13e-02 | M: 5435.7481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0260 | Energy: -81.667783 | Delta: 2.09e-02 | M: 3910.6350 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 260: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0260.npy. -Iter 0261 | Energy: -81.653751 | Delta: 1.40e-02 | M: 4481.7782 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0262 | Energy: -81.643532 | Delta: 1.02e-02 | M: 5826.8629 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0263 | Energy: -81.652660 | Delta: 9.13e-03 | M: 4096.9174 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0264 | Energy: -81.668535 | Delta: 1.59e-02 | M: 70.9245 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0265 | Energy: -81.660970 | Delta: 7.57e-03 | M: 5198.0628 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 265: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0265.npy. -Iter 0266 | Energy: -81.658931 | Delta: 2.04e-03 | M: 2.1257 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0267 | Energy: -81.678777 | Delta: 1.98e-02 | M: 15.6488 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0268 | Energy: -81.662393 | Delta: 1.64e-02 | M: 3864.6652 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0269 | Energy: -81.668549 | Delta: 6.16e-03 | M: 4754.9879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0270 | Energy: -81.680847 | Delta: 1.23e-02 | M: 6274.4750 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 270: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0270.npy. -Iter 0271 | Energy: -81.679264 | Delta: 1.58e-03 | M: 2.1558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0272 | Energy: -81.738167 | Delta: 5.89e-02 | M: 5190.5461 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0273 | Energy: -81.737073 | Delta: 1.09e-03 | M: 6136.9226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0274 | Energy: -81.736450 | Delta: 6.22e-04 | M: 5502.8562 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0275 | Energy: -81.724928 | Delta: 1.15e-02 | M: 5731.0736 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 275: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0275.npy. -Iter 0276 | Energy: -81.726763 | Delta: 1.83e-03 | M: 31.2284 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0277 | Energy: -81.715895 | Delta: 1.09e-02 | M: 5752.7390 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0278 | Energy: -81.707092 | Delta: 8.80e-03 | M: 4166.2461 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0279 | Energy: -81.717853 | Delta: 1.08e-02 | M: 5144.3583 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0280 | Energy: -81.755703 | Delta: 3.79e-02 | M: 5308.7755 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 280: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0280.npy. -Iter 0281 | Energy: -81.728785 | Delta: 2.69e-02 | M: 5546.8334 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0282 | Energy: -81.734799 | Delta: 6.01e-03 | M: 6328.2666 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0283 | Energy: -81.749227 | Delta: 1.44e-02 | M: 4160.6188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0284 | Energy: -81.772780 | Delta: 2.36e-02 | M: 3.1599 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0285 | Energy: -81.770935 | Delta: 1.84e-03 | M: 6.4802 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 285: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0285.npy. -Iter 0286 | Energy: -81.775716 | Delta: 4.78e-03 | M: 5117.4391 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0287 | Energy: -81.756000 | Delta: 1.97e-02 | M: 4637.0435 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0288 | Energy: -81.768804 | Delta: 1.28e-02 | M: 5460.8887 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0289 | Energy: -81.769289 | Delta: 4.85e-04 | M: 4417.7986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0290 | Energy: -81.749158 | Delta: 2.01e-02 | M: 4474.0341 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 290: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0290.npy. -Iter 0291 | Energy: -81.779142 | Delta: 3.00e-02 | M: 5459.4638 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0292 | Energy: -81.805892 | Delta: 2.67e-02 | M: 4501.1715 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0293 | Energy: -81.761939 | Delta: 4.40e-02 | M: 4564.3790 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0294 | Energy: -81.748242 | Delta: 1.37e-02 | M: 4566.5728 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0295 | Energy: -81.815484 | Delta: 6.72e-02 | M: 5346.2511 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 295: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0295.npy. -Iter 0296 | Energy: -81.788284 | Delta: 2.72e-02 | M: 3500.5215 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0297 | Energy: -81.825597 | Delta: 3.73e-02 | M: 1.6990 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0298 | Energy: -81.780525 | Delta: 4.51e-02 | M: 4187.9674 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0299 | Energy: -81.818514 | Delta: 3.80e-02 | M: 4662.9821 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0300 | Energy: -81.802495 | Delta: 1.60e-02 | M: 4774.0685 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 300: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0300.npy. -Iter 0301 | Energy: -81.788004 | Delta: 1.45e-02 | M: 4388.6315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0302 | Energy: -81.831418 | Delta: 4.34e-02 | M: 4617.9081 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0303 | Energy: -81.796097 | Delta: 3.53e-02 | M: 4184.7459 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0304 | Energy: -81.831095 | Delta: 3.50e-02 | M: 30.3736 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0305 | Energy: -81.824221 | Delta: 6.87e-03 | M: 4822.8472 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 305: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0305.npy. -Iter 0306 | Energy: -81.825950 | Delta: 1.73e-03 | M: 31.4393 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0307 | Energy: -81.823107 | Delta: 2.84e-03 | M: 44.6202 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0308 | Energy: -81.865125 | Delta: 4.20e-02 | M: 30.5714 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0309 | Energy: -81.853187 | Delta: 1.19e-02 | M: 4176.0247 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0310 | Energy: -81.820604 | Delta: 3.26e-02 | M: 6696.8220 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 310: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0310.npy. -Iter 0311 | Energy: -81.813092 | Delta: 7.51e-03 | M: 5163.4469 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0312 | Energy: -81.859672 | Delta: 4.66e-02 | M: 6232.7433 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0313 | Energy: -81.866910 | Delta: 7.24e-03 | M: 4087.0043 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0314 | Energy: -81.813948 | Delta: 5.30e-02 | M: 4902.2901 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0315 | Energy: -81.871259 | Delta: 5.73e-02 | M: 5766.6299 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 315: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0315.npy. -Iter 0316 | Energy: -81.848193 | Delta: 2.31e-02 | M: 60.4443 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0317 | Energy: -81.851252 | Delta: 3.06e-03 | M: 6574.9555 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0318 | Energy: -81.874142 | Delta: 2.29e-02 | M: 299.8020 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0319 | Energy: -81.843491 | Delta: 3.07e-02 | M: 2.0317 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0320 | Energy: -81.896523 | Delta: 5.30e-02 | M: 2.8015 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 320: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0320.npy. -Iter 0321 | Energy: -81.887431 | Delta: 9.09e-03 | M: 2.9995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0322 | Energy: -81.870916 | Delta: 1.65e-02 | M: 49.9252 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0323 | Energy: -81.887959 | Delta: 1.70e-02 | M: 5319.0736 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0324 | Energy: -81.884996 | Delta: 2.96e-03 | M: 1.8800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0325 | Energy: -81.888693 | Delta: 3.70e-03 | M: 14.3249 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 325: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0325.npy. -Iter 0326 | Energy: -81.896278 | Delta: 7.58e-03 | M: 4801.6626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0327 | Energy: -81.889947 | Delta: 6.33e-03 | M: 4150.6543 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0328 | Energy: -81.894939 | Delta: 4.99e-03 | M: 55.1975 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0329 | Energy: -81.913478 | Delta: 1.85e-02 | M: 4991.0332 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0330 | Energy: -81.888263 | Delta: 2.52e-02 | M: 3806.5800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 330: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0330.npy. -Iter 0331 | Energy: -81.908885 | Delta: 2.06e-02 | M: 4527.9041 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0332 | Energy: -81.895506 | Delta: 1.34e-02 | M: 4528.4450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0333 | Energy: -81.893470 | Delta: 2.04e-03 | M: 4146.6304 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0334 | Energy: -81.921146 | Delta: 2.77e-02 | M: 3216.0547 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0335 | Energy: -81.918628 | Delta: 2.52e-03 | M: 3768.5929 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 335: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0335.npy. -Iter 0336 | Energy: -81.901228 | Delta: 1.74e-02 | M: 5.1045 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0337 | Energy: -81.922197 | Delta: 2.10e-02 | M: 51.1207 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0338 | Energy: -81.925262 | Delta: 3.06e-03 | M: 4869.4254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0339 | Energy: -81.891844 | Delta: 3.34e-02 | M: 3998.0344 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0340 | Energy: -81.911238 | Delta: 1.94e-02 | M: 5200.1521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 340: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0340.npy. -Iter 0341 | Energy: -81.907370 | Delta: 3.87e-03 | M: 4153.4493 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0342 | Energy: -81.899075 | Delta: 8.29e-03 | M: 3141.4731 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0343 | Energy: -81.955807 | Delta: 5.67e-02 | M: 4501.6849 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0344 | Energy: -81.931667 | Delta: 2.41e-02 | M: 11.0936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0345 | Energy: -81.923262 | Delta: 8.41e-03 | M: 6284.1318 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 345: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0345.npy. -Iter 0346 | Energy: -81.919535 | Delta: 3.73e-03 | M: 49.4894 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0347 | Energy: -81.899976 | Delta: 1.96e-02 | M: 5638.4574 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0348 | Energy: -81.922583 | Delta: 2.26e-02 | M: 3742.6463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0349 | Energy: -81.950147 | Delta: 2.76e-02 | M: 4428.4649 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0350 | Energy: -81.905162 | Delta: 4.50e-02 | M: 17.5274 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 350: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0350.npy. -Iter 0351 | Energy: -81.935820 | Delta: 3.07e-02 | M: 3721.9935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0352 | Energy: -81.929109 | Delta: 6.71e-03 | M: 4098.0514 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0353 | Energy: -81.951990 | Delta: 2.29e-02 | M: 4.0768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0354 | Energy: -81.966523 | Delta: 1.45e-02 | M: 5222.4547 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0355 | Energy: -81.941771 | Delta: 2.48e-02 | M: 2.2399 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 355: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0355.npy. -Iter 0356 | Energy: -81.955088 | Delta: 1.33e-02 | M: 4773.7160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0357 | Energy: -81.990144 | Delta: 3.51e-02 | M: 46.5924 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0358 | Energy: -82.002115 | Delta: 1.20e-02 | M: 4723.2444 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0359 | Energy: -81.991110 | Delta: 1.10e-02 | M: 3803.6309 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0360 | Energy: -81.973789 | Delta: 1.73e-02 | M: 6188.1567 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 360: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0360.npy. -Iter 0361 | Energy: -82.008598 | Delta: 3.48e-02 | M: 3149.5610 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0362 | Energy: -82.005093 | Delta: 3.51e-03 | M: 2.2231 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0363 | Energy: -81.976350 | Delta: 2.87e-02 | M: 6.0640 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0364 | Energy: -81.971230 | Delta: 5.12e-03 | M: 4552.3214 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0365 | Energy: -82.020480 | Delta: 4.93e-02 | M: 4002.2566 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 365: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0365.npy. -Iter 0366 | Energy: -82.016739 | Delta: 3.74e-03 | M: 19.9439 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0367 | Energy: -81.985297 | Delta: 3.14e-02 | M: 19.2560 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0368 | Energy: -81.995724 | Delta: 1.04e-02 | M: 7.9665 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0369 | Energy: -82.036569 | Delta: 4.08e-02 | M: 43.7371 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0370 | Energy: -82.008295 | Delta: 2.83e-02 | M: 4453.7967 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 370: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0370.npy. -Iter 0371 | Energy: -82.004612 | Delta: 3.68e-03 | M: 5.2894 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0372 | Energy: -82.004115 | Delta: 4.97e-04 | M: 2.4899 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0373 | Energy: -81.999807 | Delta: 4.31e-03 | M: 3790.3780 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0374 | Energy: -81.992799 | Delta: 7.01e-03 | M: 22.7996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0375 | Energy: -82.050102 | Delta: 5.73e-02 | M: 9.3609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 375: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0375.npy. -Iter 0376 | Energy: -82.017818 | Delta: 3.23e-02 | M: 3808.0579 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0377 | Energy: -82.024768 | Delta: 6.95e-03 | M: 1.5952 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0378 | Energy: -82.047810 | Delta: 2.30e-02 | M: 4.2597 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0379 | Energy: -82.074418 | Delta: 2.66e-02 | M: 3.0129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0380 | Energy: -82.058869 | Delta: 1.55e-02 | M: 3.8276 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 380: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0380.npy. -Iter 0381 | Energy: -82.068867 | Delta: 1.00e-02 | M: 62.0053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0382 | Energy: -82.033441 | Delta: 3.54e-02 | M: 4547.0685 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0383 | Energy: -82.084636 | Delta: 5.12e-02 | M: 4905.8275 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0384 | Energy: -82.095829 | Delta: 1.12e-02 | M: 62.1226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0385 | Energy: -82.081047 | Delta: 1.48e-02 | M: 159.7814 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 385: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0385.npy. -Iter 0386 | Energy: -82.055906 | Delta: 2.51e-02 | M: 23.2986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0387 | Energy: -82.045844 | Delta: 1.01e-02 | M: 3587.2382 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0388 | Energy: -82.051221 | Delta: 5.38e-03 | M: 29.8008 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0389 | Energy: -82.048454 | Delta: 2.77e-03 | M: 2.7988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0390 | Energy: -82.098815 | Delta: 5.04e-02 | M: 3734.0800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 390: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0390.npy. -Iter 0391 | Energy: -82.074845 | Delta: 2.40e-02 | M: 4156.7206 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0392 | Energy: -82.100151 | Delta: 2.53e-02 | M: 4.4635 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0393 | Energy: -82.102689 | Delta: 2.54e-03 | M: 27.9379 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0394 | Energy: -82.064168 | Delta: 3.85e-02 | M: 4805.9906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0395 | Energy: -82.112479 | Delta: 4.83e-02 | M: 4128.9637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 395: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0395.npy. -Iter 0396 | Energy: -82.099298 | Delta: 1.32e-02 | M: 3785.8465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0397 | Energy: -82.064590 | Delta: 3.47e-02 | M: 4251.4099 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0398 | Energy: -82.105392 | Delta: 4.08e-02 | M: 8.2858 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0399 | Energy: -82.128788 | Delta: 2.34e-02 | M: 4228.5616 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0400 | Energy: -82.118815 | Delta: 9.97e-03 | M: 4248.6438 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 400: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0400.npy. -Iter 0401 | Energy: -82.092128 | Delta: 2.67e-02 | M: 5.4879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0402 | Energy: -82.085325 | Delta: 6.80e-03 | M: 3.6833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0403 | Energy: -82.129626 | Delta: 4.43e-02 | M: 2.9994 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0404 | Energy: -82.144799 | Delta: 1.52e-02 | M: 2.0098 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0405 | Energy: -82.100058 | Delta: 4.47e-02 | M: 5.0963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 405: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0405.npy. -Iter 0406 | Energy: -82.132594 | Delta: 3.25e-02 | M: 4742.0102 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0407 | Energy: -82.120673 | Delta: 1.19e-02 | M: 4691.0164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0408 | Energy: -82.120662 | Delta: 1.09e-05 | M: 267.6932 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0409 | Energy: -82.146074 | Delta: 2.54e-02 | M: 4.8971 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0410 | Energy: -82.125550 | Delta: 2.05e-02 | M: 44.2161 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 410: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0410.npy. -Iter 0411 | Energy: -82.114804 | Delta: 1.07e-02 | M: 3.9455 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0412 | Energy: -82.115853 | Delta: 1.05e-03 | M: 6.8745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0413 | Energy: -82.119096 | Delta: 3.24e-03 | M: 2.1948 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0414 | Energy: -82.120618 | Delta: 1.52e-03 | M: 6.7622 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0415 | Energy: -82.168654 | Delta: 4.80e-02 | M: 3.4024 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 415: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0415.npy. -Iter 0416 | Energy: -82.169088 | Delta: 4.34e-04 | M: 5376.9609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0417 | Energy: -82.153380 | Delta: 1.57e-02 | M: 4978.6389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0418 | Energy: -82.159119 | Delta: 5.74e-03 | M: 3480.1084 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0419 | Energy: -82.167575 | Delta: 8.46e-03 | M: 10.2879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0420 | Energy: -82.131925 | Delta: 3.57e-02 | M: 27.7587 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 420: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0420.npy. -Iter 0421 | Energy: -82.135825 | Delta: 3.90e-03 | M: 83.4970 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0422 | Energy: -82.138557 | Delta: 2.73e-03 | M: 39.4029 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0423 | Energy: -82.169838 | Delta: 3.13e-02 | M: 5918.5686 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0424 | Energy: -82.125488 | Delta: 4.43e-02 | M: 87.5412 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0425 | Energy: -82.173231 | Delta: 4.77e-02 | M: 6.5966 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 425: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0425.npy. -Iter 0426 | Energy: -82.183706 | Delta: 1.05e-02 | M: 45.6717 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0427 | Energy: -82.170059 | Delta: 1.36e-02 | M: 5023.7998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0428 | Energy: -82.160448 | Delta: 9.61e-03 | M: 4377.7284 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0429 | Energy: -82.131069 | Delta: 2.94e-02 | M: 5319.3813 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0430 | Energy: -82.158433 | Delta: 2.74e-02 | M: 2.2883 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 430: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0430.npy. -Iter 0431 | Energy: -82.191774 | Delta: 3.33e-02 | M: 20.6936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0432 | Energy: -82.161558 | Delta: 3.02e-02 | M: 3853.5923 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0433 | Energy: -82.180123 | Delta: 1.86e-02 | M: 3.2229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0434 | Energy: -82.151221 | Delta: 2.89e-02 | M: 3646.9306 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0435 | Energy: -82.185397 | Delta: 3.42e-02 | M: 3.8640 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 435: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0435.npy. -Iter 0436 | Energy: -82.154683 | Delta: 3.07e-02 | M: 3137.0564 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0437 | Energy: -82.196107 | Delta: 4.14e-02 | M: 265.3842 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0438 | Energy: -82.199430 | Delta: 3.32e-03 | M: 4739.6562 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0439 | Energy: -82.195551 | Delta: 3.88e-03 | M: 35.9073 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0440 | Energy: -82.201536 | Delta: 5.98e-03 | M: 4115.2780 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 440: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0440.npy. -Iter 0441 | Energy: -82.200181 | Delta: 1.35e-03 | M: 4865.1165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0442 | Energy: -82.210218 | Delta: 1.00e-02 | M: 32.8055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0443 | Energy: -82.219120 | Delta: 8.90e-03 | M: 56.3651 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0444 | Energy: -82.189354 | Delta: 2.98e-02 | M: 4709.1661 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0445 | Energy: -82.183929 | Delta: 5.43e-03 | M: 5730.7310 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 445: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0445.npy. -Iter 0446 | Energy: -82.179874 | Delta: 4.06e-03 | M: 5460.5231 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0447 | Energy: -82.210292 | Delta: 3.04e-02 | M: 5213.8580 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0448 | Energy: -82.186347 | Delta: 2.39e-02 | M: 53.2380 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0449 | Energy: -82.189149 | Delta: 2.80e-03 | M: 5530.4874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0450 | Energy: -82.199149 | Delta: 1.00e-02 | M: 69.3160 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 450: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0450.npy. -Iter 0451 | Energy: -82.188239 | Delta: 1.09e-02 | M: 4630.6657 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0452 | Energy: -82.219328 | Delta: 3.11e-02 | M: 4048.8844 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0453 | Energy: -82.207402 | Delta: 1.19e-02 | M: 5.6361 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0454 | Energy: -82.198107 | Delta: 9.30e-03 | M: 6.2062 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0455 | Energy: -82.229902 | Delta: 3.18e-02 | M: 55.9076 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 455: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0455.npy. -Iter 0456 | Energy: -82.212518 | Delta: 1.74e-02 | M: 5176.9026 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0457 | Energy: -82.200707 | Delta: 1.18e-02 | M: 5051.7755 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0458 | Energy: -82.210445 | Delta: 9.74e-03 | M: 4614.1468 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0459 | Energy: -82.242687 | Delta: 3.22e-02 | M: 29.5879 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0460 | Energy: -82.225976 | Delta: 1.67e-02 | M: 5538.4963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 460: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0460.npy. -Iter 0461 | Energy: -82.208216 | Delta: 1.78e-02 | M: 5401.3837 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0462 | Energy: -82.248626 | Delta: 4.04e-02 | M: 4521.5544 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0463 | Energy: -82.230078 | Delta: 1.85e-02 | M: 38.8061 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0464 | Energy: -82.211518 | Delta: 1.86e-02 | M: 3678.1935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0465 | Energy: -82.211460 | Delta: 5.79e-05 | M: 3497.6666 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 465: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0465.npy. -Iter 0466 | Energy: -82.240212 | Delta: 2.88e-02 | M: 47.5597 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0467 | Energy: -82.218181 | Delta: 2.20e-02 | M: 3362.0803 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0468 | Energy: -82.217509 | Delta: 6.72e-04 | M: 26.7740 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0469 | Energy: -82.270287 | Delta: 5.28e-02 | M: 3.6983 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0470 | Energy: -82.226138 | Delta: 4.41e-02 | M: 3872.4095 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 470: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0470.npy. -Iter 0471 | Energy: -82.225025 | Delta: 1.11e-03 | M: 4232.9100 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0472 | Energy: -82.225404 | Delta: 3.79e-04 | M: 3898.7644 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0473 | Energy: -82.237676 | Delta: 1.23e-02 | M: 3641.7995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0474 | Energy: -82.267524 | Delta: 2.98e-02 | M: 3718.5902 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0475 | Energy: -82.231545 | Delta: 3.60e-02 | M: 15.4465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 475: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0475.npy. -Iter 0476 | Energy: -82.271030 | Delta: 3.95e-02 | M: 3967.9463 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0477 | Energy: -82.256634 | Delta: 1.44e-02 | M: 30.3148 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0478 | Energy: -82.248264 | Delta: 8.37e-03 | M: 2.0184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0479 | Energy: -82.287421 | Delta: 3.92e-02 | M: 259.1768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0480 | Energy: -82.270229 | Delta: 1.72e-02 | M: 45.3172 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 480: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0480.npy. -Iter 0481 | Energy: -82.281745 | Delta: 1.15e-02 | M: 4870.9093 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0482 | Energy: -82.251480 | Delta: 3.03e-02 | M: 56.2745 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0483 | Energy: -82.278972 | Delta: 2.75e-02 | M: 5.0211 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0484 | Energy: -82.263890 | Delta: 1.51e-02 | M: 3984.4143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0485 | Energy: -82.262137 | Delta: 1.75e-03 | M: 5091.3716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 485: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0485.npy. -Iter 0486 | Energy: -82.306176 | Delta: 4.40e-02 | M: 31.7494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0487 | Energy: -82.258727 | Delta: 4.74e-02 | M: 5010.3837 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0488 | Energy: -82.285160 | Delta: 2.64e-02 | M: 4442.0349 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0489 | Energy: -82.304878 | Delta: 1.97e-02 | M: 4.0259 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0490 | Energy: -82.301603 | Delta: 3.28e-03 | M: 25.4821 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 490: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0490.npy. -Iter 0491 | Energy: -82.272923 | Delta: 2.87e-02 | M: 4806.1053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0492 | Energy: -82.268421 | Delta: 4.50e-03 | M: 5253.8389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0493 | Energy: -82.275177 | Delta: 6.76e-03 | M: 4.1606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0494 | Energy: -82.301925 | Delta: 2.67e-02 | M: 6.6347 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0495 | Energy: -82.313511 | Delta: 1.16e-02 | M: 5501.2570 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 495: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0495.npy. -Iter 0496 | Energy: -82.322268 | Delta: 8.76e-03 | M: 6121.9679 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0497 | Energy: -82.288154 | Delta: 3.41e-02 | M: 91.3074 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0498 | Energy: -82.297208 | Delta: 9.05e-03 | M: 4.2262 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0499 | Energy: -82.296606 | Delta: 6.02e-04 | M: 2.1304 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0500 | Energy: -82.288602 | Delta: 8.00e-03 | M: 2.9063 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 500: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0500.npy. -Iter 0501 | Energy: -82.286354 | Delta: 2.25e-03 | M: 3237.5985 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0502 | Energy: -82.286808 | Delta: 4.54e-04 | M: 3768.7381 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0503 | Energy: -82.281418 | Delta: 5.39e-03 | M: 5998.5322 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0504 | Energy: -82.286239 | Delta: 4.82e-03 | M: 5655.0994 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0505 | Energy: -82.298474 | Delta: 1.22e-02 | M: 4713.5691 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 505: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0505.npy. -Iter 0506 | Energy: -82.284043 | Delta: 1.44e-02 | M: 16.3970 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0507 | Energy: -82.314100 | Delta: 3.01e-02 | M: 4392.3414 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0508 | Energy: -82.346135 | Delta: 3.20e-02 | M: 4712.2029 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0509 | Energy: -82.323202 | Delta: 2.29e-02 | M: 31.3549 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0510 | Energy: -82.308429 | Delta: 1.48e-02 | M: 4545.9245 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 510: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0510.npy. -Iter 0511 | Energy: -82.346972 | Delta: 3.85e-02 | M: 4891.2403 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0512 | Energy: -82.331666 | Delta: 1.53e-02 | M: 4.6205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0513 | Energy: -82.306493 | Delta: 2.52e-02 | M: 32.6408 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0514 | Energy: -82.301217 | Delta: 5.28e-03 | M: 3.7124 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0515 | Energy: -82.312093 | Delta: 1.09e-02 | M: 3893.5381 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 515: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0515.npy. -Iter 0516 | Energy: -82.346144 | Delta: 3.41e-02 | M: 4435.8494 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0517 | Energy: -82.299613 | Delta: 4.65e-02 | M: 4409.0655 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0518 | Energy: -82.313773 | Delta: 1.42e-02 | M: 5153.7133 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0519 | Energy: -82.328479 | Delta: 1.47e-02 | M: 6209.6271 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0520 | Energy: -82.295294 | Delta: 3.32e-02 | M: 5644.8165 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 520: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0520.npy. -Iter 0521 | Energy: -82.332512 | Delta: 3.72e-02 | M: 31.0383 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0522 | Energy: -82.338447 | Delta: 5.94e-03 | M: 3674.7364 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0523 | Energy: -82.309044 | Delta: 2.94e-02 | M: 46.3770 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0524 | Energy: -82.321704 | Delta: 1.27e-02 | M: 7.3855 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0525 | Energy: -82.315740 | Delta: 5.96e-03 | M: 22.1211 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 525: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0525.npy. -Iter 0526 | Energy: -82.313113 | Delta: 2.63e-03 | M: 3838.3591 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0527 | Energy: -82.320353 | Delta: 7.24e-03 | M: 3.5529 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0528 | Energy: -82.347415 | Delta: 2.71e-02 | M: 7.0803 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0529 | Energy: -82.329701 | Delta: 1.77e-02 | M: 4679.7818 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0530 | Energy: -82.353917 | Delta: 2.42e-02 | M: 4870.0527 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 530: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0530.npy. -Iter 0531 | Energy: -82.304082 | Delta: 4.98e-02 | M: 14.6525 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0532 | Energy: -82.350207 | Delta: 4.61e-02 | M: 3362.0945 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0533 | Energy: -82.350321 | Delta: 1.14e-04 | M: 5417.9918 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0534 | Energy: -82.314609 | Delta: 3.57e-02 | M: 6599.2898 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0535 | Energy: -82.331294 | Delta: 1.67e-02 | M: 77.5326 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 535: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0535.npy. -Iter 0536 | Energy: -82.326207 | Delta: 5.09e-03 | M: 1.2044 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0537 | Energy: -82.356050 | Delta: 2.98e-02 | M: 45.3903 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0538 | Energy: -82.330454 | Delta: 2.56e-02 | M: 58.4986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0539 | Energy: -82.335202 | Delta: 4.75e-03 | M: 30.5072 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0540 | Energy: -82.341709 | Delta: 6.51e-03 | M: 50.1464 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 540: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0540.npy. -Iter 0541 | Energy: -82.330520 | Delta: 1.12e-02 | M: 6283.1933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0542 | Energy: -82.342836 | Delta: 1.23e-02 | M: 5713.4609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0543 | Energy: -82.329430 | Delta: 1.34e-02 | M: 49.1777 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0544 | Energy: -82.377183 | Delta: 4.78e-02 | M: 5234.6520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0545 | Energy: -82.371943 | Delta: 5.24e-03 | M: 5483.3763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 545: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0545.npy. -Iter 0546 | Energy: -82.388289 | Delta: 1.63e-02 | M: 18.8874 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0547 | Energy: -82.342024 | Delta: 4.63e-02 | M: 5.9205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0548 | Energy: -82.345360 | Delta: 3.34e-03 | M: 4204.8571 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0549 | Energy: -82.390162 | Delta: 4.48e-02 | M: 2.2070 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0550 | Energy: -82.382083 | Delta: 8.08e-03 | M: 25.8178 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 550: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0550.npy. -Iter 0551 | Energy: -82.356144 | Delta: 2.59e-02 | M: 50.7055 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0552 | Energy: -82.390108 | Delta: 3.40e-02 | M: 3884.6119 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0553 | Energy: -82.345183 | Delta: 4.49e-02 | M: 4852.9838 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0554 | Energy: -82.392440 | Delta: 4.73e-02 | M: 31.1448 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0555 | Energy: -82.382702 | Delta: 9.74e-03 | M: 808.9616 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 555: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0555.npy. -Iter 0556 | Energy: -82.369267 | Delta: 1.34e-02 | M: 3687.4432 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0557 | Energy: -82.362856 | Delta: 6.41e-03 | M: 4234.4272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0558 | Energy: -82.373240 | Delta: 1.04e-02 | M: 29.5013 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0559 | Energy: -82.408439 | Delta: 3.52e-02 | M: 3569.4516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0560 | Energy: -82.397062 | Delta: 1.14e-02 | M: 4605.0128 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 560: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0560.npy. -Iter 0561 | Energy: -82.403060 | Delta: 6.00e-03 | M: 4710.7748 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0562 | Energy: -82.413092 | Delta: 1.00e-02 | M: 4135.6733 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0563 | Energy: -82.358689 | Delta: 5.44e-02 | M: 3865.6897 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0564 | Energy: -82.404589 | Delta: 4.59e-02 | M: 3999.6372 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0565 | Energy: -82.403112 | Delta: 1.48e-03 | M: 3453.4158 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 565: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0565.npy. -Iter 0566 | Energy: -82.407802 | Delta: 4.69e-03 | M: 3626.3254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0567 | Energy: -82.396176 | Delta: 1.16e-02 | M: 5641.8934 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0568 | Energy: -82.389800 | Delta: 6.38e-03 | M: 4596.4200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0569 | Energy: -82.385184 | Delta: 4.62e-03 | M: 3656.5855 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0570 | Energy: -82.405391 | Delta: 2.02e-02 | M: 4615.2292 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 570: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0570.npy. -Iter 0571 | Energy: -82.369527 | Delta: 3.59e-02 | M: 4173.6465 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0572 | Energy: -82.402534 | Delta: 3.30e-02 | M: 2.4652 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0573 | Energy: -82.413669 | Delta: 1.11e-02 | M: 5.5907 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0574 | Energy: -82.368885 | Delta: 4.48e-02 | M: 18.9558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0575 | Energy: -82.405055 | Delta: 3.62e-02 | M: 23.4825 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 575: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0575.npy. -Iter 0576 | Energy: -82.389749 | Delta: 1.53e-02 | M: 4618.9050 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0577 | Energy: -82.372943 | Delta: 1.68e-02 | M: 3442.3807 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0578 | Energy: -82.404759 | Delta: 3.18e-02 | M: 7.4768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0579 | Energy: -82.377756 | Delta: 2.70e-02 | M: 4933.9023 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0580 | Energy: -82.394127 | Delta: 1.64e-02 | M: 5189.8995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 580: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0580.npy. -Iter 0581 | Energy: -82.419260 | Delta: 2.51e-02 | M: 3850.8210 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0582 | Energy: -82.403791 | Delta: 1.55e-02 | M: 6097.4618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0583 | Energy: -82.425005 | Delta: 2.12e-02 | M: 2.8797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0584 | Energy: -82.381453 | Delta: 4.36e-02 | M: 1.1662 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0585 | Energy: -82.408838 | Delta: 2.74e-02 | M: 10.0783 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 585: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0585.npy. -Iter 0586 | Energy: -82.382723 | Delta: 2.61e-02 | M: 88.3541 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0587 | Energy: -82.395555 | Delta: 1.28e-02 | M: 4939.8272 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0588 | Energy: -82.411501 | Delta: 1.59e-02 | M: 4795.8668 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0589 | Energy: -82.419784 | Delta: 8.28e-03 | M: 2.8892 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0590 | Energy: -82.384708 | Delta: 3.51e-02 | M: 5.1977 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 590: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0590.npy. -Iter 0591 | Energy: -82.430804 | Delta: 4.61e-02 | M: 4588.8669 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0592 | Energy: -82.399687 | Delta: 3.11e-02 | M: 5336.9606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0593 | Energy: -82.412029 | Delta: 1.23e-02 | M: 33.0424 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0594 | Energy: -82.430084 | Delta: 1.81e-02 | M: 5822.8849 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0595 | Energy: -82.414634 | Delta: 1.54e-02 | M: 55.1429 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 595: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0595.npy. -Iter 0596 | Energy: -82.417583 | Delta: 2.95e-03 | M: 3790.8186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0597 | Energy: -82.389093 | Delta: 2.85e-02 | M: 4265.9965 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0598 | Energy: -82.411493 | Delta: 2.24e-02 | M: 4844.0077 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0599 | Energy: -82.425090 | Delta: 1.36e-02 | M: 28.9593 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0600 | Energy: -82.394016 | Delta: 3.11e-02 | M: 4804.7164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 600: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0600.npy. -Iter 0601 | Energy: -82.419352 | Delta: 2.53e-02 | M: 5772.9167 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0602 | Energy: -82.396062 | Delta: 2.33e-02 | M: 4373.9578 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0603 | Energy: -82.392370 | Delta: 3.69e-03 | M: 4532.4002 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0604 | Energy: -82.425322 | Delta: 3.30e-02 | M: 5570.8925 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0605 | Energy: -82.417362 | Delta: 7.96e-03 | M: 5236.4737 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 605: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0605.npy. -Iter 0606 | Energy: -82.421281 | Delta: 3.92e-03 | M: 4116.8620 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0607 | Energy: -82.416554 | Delta: 4.73e-03 | M: 5480.7819 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0608 | Energy: -82.416727 | Delta: 1.73e-04 | M: 3.2384 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0609 | Energy: -82.430268 | Delta: 1.35e-02 | M: 4.9190 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0610 | Energy: -82.404842 | Delta: 2.54e-02 | M: 5794.1861 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 610: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0610.npy. -Iter 0611 | Energy: -82.413777 | Delta: 8.94e-03 | M: 4121.7816 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0612 | Energy: -82.426544 | Delta: 1.28e-02 | M: 2.5376 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0613 | Energy: -82.421819 | Delta: 4.72e-03 | M: 17.8839 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0614 | Energy: -82.430978 | Delta: 9.16e-03 | M: 5420.4992 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0615 | Energy: -82.420148 | Delta: 1.08e-02 | M: 6564.3582 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 615: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0615.npy. -Iter 0616 | Energy: -82.460932 | Delta: 4.08e-02 | M: 19.5653 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0617 | Energy: -82.451004 | Delta: 9.93e-03 | M: 29.8087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0618 | Energy: -82.412935 | Delta: 3.81e-02 | M: 4505.4243 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0619 | Energy: -82.433529 | Delta: 2.06e-02 | M: 4134.5795 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0620 | Energy: -82.435487 | Delta: 1.96e-03 | M: 2.7448 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 620: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0620.npy. -Iter 0621 | Energy: -82.437754 | Delta: 2.27e-03 | M: 1.9495 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0622 | Energy: -82.451526 | Delta: 1.38e-02 | M: 2.6731 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0623 | Energy: -82.450014 | Delta: 1.51e-03 | M: 2.6121 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0624 | Energy: -82.447336 | Delta: 2.68e-03 | M: 10.3746 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0625 | Energy: -82.450483 | Delta: 3.15e-03 | M: 5441.1474 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 625: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0625.npy. -Iter 0626 | Energy: -82.458084 | Delta: 7.60e-03 | M: 3394.4151 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0627 | Energy: -82.454220 | Delta: 3.86e-03 | M: 4.7355 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0628 | Energy: -82.463365 | Delta: 9.14e-03 | M: 4.8276 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0629 | Energy: -82.440802 | Delta: 2.26e-02 | M: 1.1164 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0630 | Energy: -82.427959 | Delta: 1.28e-02 | M: 3084.9459 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 630: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0630.npy. -Iter 0631 | Energy: -82.475850 | Delta: 4.79e-02 | M: 3554.9007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0632 | Energy: -82.443150 | Delta: 3.27e-02 | M: 5.4139 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0633 | Energy: -82.462056 | Delta: 1.89e-02 | M: 24.5639 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0634 | Energy: -82.428228 | Delta: 3.38e-02 | M: 1.5447 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0635 | Energy: -82.445372 | Delta: 1.71e-02 | M: 4144.1284 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 635: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0635.npy. -Iter 0636 | Energy: -82.431778 | Delta: 1.36e-02 | M: 4007.3978 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0637 | Energy: -82.468727 | Delta: 3.69e-02 | M: 1.3197 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0638 | Energy: -82.483710 | Delta: 1.50e-02 | M: 25.7242 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0639 | Energy: -82.437284 | Delta: 4.64e-02 | M: 51.1589 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0640 | Energy: -82.439074 | Delta: 1.79e-03 | M: 16.0184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 640: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0640.npy. -Iter 0641 | Energy: -82.451734 | Delta: 1.27e-02 | M: 3447.2014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0642 | Energy: -82.478831 | Delta: 2.71e-02 | M: 1.9800 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0643 | Energy: -82.458792 | Delta: 2.00e-02 | M: 8.8483 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0644 | Energy: -82.483199 | Delta: 2.44e-02 | M: 51.9998 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0645 | Energy: -82.480486 | Delta: 2.71e-03 | M: 5924.4943 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 645: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0645.npy. -Iter 0646 | Energy: -82.465445 | Delta: 1.50e-02 | M: 5271.4659 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0647 | Energy: -82.459354 | Delta: 6.09e-03 | M: 29.4287 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0648 | Energy: -82.459085 | Delta: 2.69e-04 | M: 4334.9628 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0649 | Energy: -82.450314 | Delta: 8.77e-03 | M: 50.8389 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0650 | Energy: -82.464661 | Delta: 1.43e-02 | M: 5539.9516 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 650: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0650.npy. -Iter 0651 | Energy: -82.445822 | Delta: 1.88e-02 | M: 5696.6179 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0652 | Energy: -82.471572 | Delta: 2.57e-02 | M: 5554.8229 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0653 | Energy: -82.490486 | Delta: 1.89e-02 | M: 30.2509 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0654 | Energy: -82.464128 | Delta: 2.64e-02 | M: 47.5373 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0655 | Energy: -82.492974 | Delta: 2.88e-02 | M: 3398.5258 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 655: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0655.npy. -Iter 0656 | Energy: -82.464004 | Delta: 2.90e-02 | M: 4251.1049 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0657 | Energy: -82.495730 | Delta: 3.17e-02 | M: 3892.6765 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0658 | Energy: -82.475280 | Delta: 2.05e-02 | M: 4373.9694 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0659 | Energy: -82.505312 | Delta: 3.00e-02 | M: 5382.9436 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0660 | Energy: -82.459672 | Delta: 4.56e-02 | M: 6973.6395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 660: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0660.npy. -Iter 0661 | Energy: -82.493047 | Delta: 3.34e-02 | M: 5044.0087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0662 | Energy: -82.468245 | Delta: 2.48e-02 | M: 6935.2254 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0663 | Energy: -82.504369 | Delta: 3.61e-02 | M: 4666.6947 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0664 | Energy: -82.461077 | Delta: 4.33e-02 | M: 3410.0891 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0665 | Energy: -82.476348 | Delta: 1.53e-02 | M: 57.1185 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 665: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0665.npy. -Iter 0666 | Energy: -82.483393 | Delta: 7.05e-03 | M: 4554.9833 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0667 | Energy: -82.490096 | Delta: 6.70e-03 | M: 6819.0434 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0668 | Energy: -82.500336 | Delta: 1.02e-02 | M: 4937.8392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0669 | Energy: -82.499811 | Delta: 5.25e-04 | M: 47.5183 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0670 | Energy: -82.498336 | Delta: 1.47e-03 | M: 4062.4106 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 670: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0670.npy. -Iter 0671 | Energy: -82.473340 | Delta: 2.50e-02 | M: 5943.8712 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0672 | Energy: -82.498610 | Delta: 2.53e-02 | M: 28.5087 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0673 | Energy: -82.464467 | Delta: 3.41e-02 | M: 5644.4658 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0674 | Energy: -82.500736 | Delta: 3.63e-02 | M: 18.5117 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0675 | Energy: -82.496947 | Delta: 3.79e-03 | M: 54.1789 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 675: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0675.npy. -Iter 0676 | Energy: -82.474353 | Delta: 2.26e-02 | M: 5123.5280 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0677 | Energy: -82.506404 | Delta: 3.21e-02 | M: 73.2521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0678 | Energy: -82.514824 | Delta: 8.42e-03 | M: 5599.7383 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0679 | Energy: -82.516048 | Delta: 1.22e-03 | M: 6121.9025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0680 | Energy: -82.477105 | Delta: 3.89e-02 | M: 4066.4243 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 680: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0680.npy. -Iter 0681 | Energy: -82.483504 | Delta: 6.40e-03 | M: 20.5031 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0682 | Energy: -82.527066 | Delta: 4.36e-02 | M: 5058.4677 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0683 | Energy: -82.527243 | Delta: 1.78e-04 | M: 3812.6094 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0684 | Energy: -82.488703 | Delta: 3.85e-02 | M: 6.2353 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0685 | Energy: -82.530360 | Delta: 4.17e-02 | M: 3769.8334 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 685: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0685.npy. -Iter 0686 | Energy: -82.487233 | Delta: 4.31e-02 | M: 4322.2118 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0687 | Energy: -82.499061 | Delta: 1.18e-02 | M: 3930.1797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0688 | Energy: -82.499922 | Delta: 8.61e-04 | M: 4048.3830 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0689 | Energy: -82.513341 | Delta: 1.34e-02 | M: 4113.3871 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0690 | Energy: -82.518999 | Delta: 5.66e-03 | M: 1.5520 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 690: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0690.npy. -Iter 0691 | Energy: -82.525295 | Delta: 6.30e-03 | M: 4634.6618 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0692 | Energy: -82.506392 | Delta: 1.89e-02 | M: 5108.1402 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0693 | Energy: -82.516937 | Delta: 1.05e-02 | M: 55.9226 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0694 | Energy: -82.505865 | Delta: 1.11e-02 | M: 5058.4754 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0695 | Energy: -82.510629 | Delta: 4.76e-03 | M: 2.9027 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 695: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0695.npy. -Iter 0696 | Energy: -82.498113 | Delta: 1.25e-02 | M: 3431.9080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0697 | Energy: -82.523188 | Delta: 2.51e-02 | M: 2.6681 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0698 | Energy: -82.508627 | Delta: 1.46e-02 | M: 3876.3506 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0699 | Energy: -82.510426 | Delta: 1.80e-03 | M: 4109.9951 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0700 | Energy: -82.511607 | Delta: 1.18e-03 | M: 2.6083 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 700: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0700.npy. -Iter 0701 | Energy: -82.545726 | Delta: 3.41e-02 | M: 337.8213 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0702 | Energy: -82.515814 | Delta: 2.99e-02 | M: 9.1848 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0703 | Energy: -82.504737 | Delta: 1.11e-02 | M: 14.3606 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0704 | Energy: -82.540287 | Delta: 3.56e-02 | M: 2.2797 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0705 | Energy: -82.534137 | Delta: 6.15e-03 | M: 4689.0107 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 705: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0705.npy. -Iter 0706 | Energy: -82.544482 | Delta: 1.03e-02 | M: 4347.8188 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0707 | Energy: -82.536198 | Delta: 8.28e-03 | M: 3869.7374 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0708 | Energy: -82.543624 | Delta: 7.43e-03 | M: 12.4636 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0709 | Energy: -82.508711 | Delta: 3.49e-02 | M: 4252.7212 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0710 | Energy: -82.541912 | Delta: 3.32e-02 | M: 5137.2739 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 710: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0710.npy. -Iter 0711 | Energy: -82.542208 | Delta: 2.96e-04 | M: 3074.0161 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0712 | Energy: -82.552784 | Delta: 1.06e-02 | M: 25.3749 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0713 | Energy: -82.514706 | Delta: 3.81e-02 | M: 62.1987 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0714 | Energy: -82.556939 | Delta: 4.22e-02 | M: 4432.0457 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0715 | Energy: -82.542601 | Delta: 1.43e-02 | M: 3757.6810 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 715: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0715.npy. -Iter 0716 | Energy: -82.534475 | Delta: 8.13e-03 | M: 4875.1405 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0717 | Energy: -82.537835 | Delta: 3.36e-03 | M: 4753.4325 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0718 | Energy: -82.513121 | Delta: 2.47e-02 | M: 4147.5189 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0719 | Energy: -82.553666 | Delta: 4.05e-02 | M: 4.0089 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0720 | Energy: -82.553397 | Delta: 2.70e-04 | M: 2.9521 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 720: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0720.npy. -Iter 0721 | Energy: -82.541201 | Delta: 1.22e-02 | M: 34.9024 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0722 | Energy: -82.559746 | Delta: 1.85e-02 | M: 5012.5615 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0723 | Energy: -82.569373 | Delta: 9.63e-03 | M: 4999.6936 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0724 | Energy: -82.571087 | Delta: 1.71e-03 | M: 4460.2410 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0725 | Energy: -82.527824 | Delta: 4.33e-02 | M: 48.4007 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 725: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0725.npy. -Iter 0726 | Energy: -82.559608 | Delta: 3.18e-02 | M: 4623.1932 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0727 | Energy: -82.529287 | Delta: 3.03e-02 | M: 5320.8190 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0728 | Energy: -82.531117 | Delta: 1.83e-03 | M: 46.1053 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0729 | Energy: -82.572403 | Delta: 4.13e-02 | M: 18.8809 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0730 | Energy: -82.568795 | Delta: 3.61e-03 | M: 2.5869 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 730: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0730.npy. -Iter 0731 | Energy: -82.583813 | Delta: 1.50e-02 | M: 3975.1915 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0732 | Energy: -82.542828 | Delta: 4.10e-02 | M: 4840.0781 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0733 | Energy: -82.573876 | Delta: 3.10e-02 | M: 3726.8796 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0734 | Energy: -82.567077 | Delta: 6.80e-03 | M: 4617.3201 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0735 | Energy: -82.576987 | Delta: 9.91e-03 | M: 5387.3025 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 735: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0735.npy. -Iter 0736 | Energy: -82.576031 | Delta: 9.55e-04 | M: 4791.3925 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0737 | Energy: -82.555214 | Delta: 2.08e-02 | M: 5218.3314 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0738 | Energy: -82.581348 | Delta: 2.61e-02 | M: 3965.5847 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0739 | Energy: -82.580108 | Delta: 1.24e-03 | M: 5288.8266 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0740 | Energy: -82.578707 | Delta: 1.40e-03 | M: 5718.8715 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 740: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0740.npy. -Iter 0741 | Energy: -82.554810 | Delta: 2.39e-02 | M: 4654.7483 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0742 | Energy: -82.588161 | Delta: 3.34e-02 | M: 50.2392 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0743 | Energy: -82.575640 | Delta: 1.25e-02 | M: 9.0906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0744 | Energy: -82.556803 | Delta: 1.88e-02 | M: 5228.2819 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0745 | Energy: -82.570424 | Delta: 1.36e-02 | M: 4830.8958 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 745: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0745.npy. -Iter 0746 | Energy: -82.556882 | Delta: 1.35e-02 | M: 4639.7995 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0747 | Energy: -82.579738 | Delta: 2.29e-02 | M: 3745.2143 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0748 | Energy: -82.559278 | Delta: 2.05e-02 | M: 3.1496 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0749 | Energy: -82.585240 | Delta: 2.60e-02 | M: 31.4034 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0750 | Energy: -82.589880 | Delta: 4.64e-03 | M: 4073.4768 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 750: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0750.npy. -Iter 0751 | Energy: -82.575114 | Delta: 1.48e-02 | M: 4836.4918 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0752 | Energy: -82.573309 | Delta: 1.80e-03 | M: 1.5346 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0753 | Energy: -82.598677 | Delta: 2.54e-02 | M: 36.0169 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0754 | Energy: -82.591879 | Delta: 6.80e-03 | M: 19.3123 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0755 | Energy: -82.547046 | Delta: 4.48e-02 | M: 2.8185 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 755: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0755.npy. -Iter 0756 | Energy: -82.581023 | Delta: 3.40e-02 | M: 4082.8421 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0757 | Energy: -82.585176 | Delta: 4.15e-03 | M: 4473.8336 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0758 | Energy: -82.565330 | Delta: 1.98e-02 | M: 4463.6637 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0759 | Energy: -82.591445 | Delta: 2.61e-02 | M: 2.5442 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0760 | Energy: -82.603898 | Delta: 1.25e-02 | M: 25.2227 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 760: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0760.npy. -Iter 0761 | Energy: -82.579538 | Delta: 2.44e-02 | M: 313.7896 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0762 | Energy: -82.599189 | Delta: 1.97e-02 | M: 5113.4291 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0763 | Energy: -82.590578 | Delta: 8.61e-03 | M: 3964.9454 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0764 | Energy: -82.589703 | Delta: 8.75e-04 | M: 3989.9853 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0765 | Energy: -82.570514 | Delta: 1.92e-02 | M: 59.0895 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 765: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0765.npy. -Iter 0766 | Energy: -82.590336 | Delta: 1.98e-02 | M: 41.0534 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0767 | Energy: -82.578663 | Delta: 1.17e-02 | M: 5696.7190 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0768 | Energy: -82.593377 | Delta: 1.47e-02 | M: 4300.4747 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0769 | Energy: -82.606260 | Delta: 1.29e-02 | M: 4.1235 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0770 | Energy: -82.565692 | Delta: 4.06e-02 | M: 8.9372 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 770: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0770.npy. -Iter 0771 | Energy: -82.609316 | Delta: 4.36e-02 | M: 18.7186 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0772 | Energy: -82.573560 | Delta: 3.58e-02 | M: 14.0851 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0773 | Energy: -82.564929 | Delta: 8.63e-03 | M: 4780.6441 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0774 | Energy: -82.598526 | Delta: 3.36e-02 | M: 5012.0360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0775 | Energy: -82.610823 | Delta: 1.23e-02 | M: 4767.8770 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 775: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0775.npy. -Iter 0776 | Energy: -82.585208 | Delta: 2.56e-02 | M: 3918.8090 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0777 | Energy: -82.596343 | Delta: 1.11e-02 | M: 45.6756 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0778 | Energy: -82.592561 | Delta: 3.78e-03 | M: 29.1481 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0779 | Energy: -82.606846 | Delta: 1.43e-02 | M: 11.3097 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0780 | Energy: -82.599016 | Delta: 7.83e-03 | M: 4544.0450 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 780: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0780.npy. -Iter 0781 | Energy: -82.591862 | Delta: 7.15e-03 | M: 3948.4360 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0782 | Energy: -82.574081 | Delta: 1.78e-02 | M: 4749.4786 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0783 | Energy: -82.612668 | Delta: 3.86e-02 | M: 5021.1495 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0784 | Energy: -82.609986 | Delta: 2.68e-03 | M: 3838.7827 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0785 | Energy: -82.585811 | Delta: 2.42e-02 | M: 2381.2956 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 785: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0785.npy. -Iter 0786 | Energy: -82.591691 | Delta: 5.88e-03 | M: 26.3028 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0787 | Energy: -82.603038 | Delta: 1.13e-02 | M: 31.2640 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0788 | Energy: -82.609657 | Delta: 6.62e-03 | M: 10.3154 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0789 | Energy: -82.583633 | Delta: 2.60e-02 | M: 23.9545 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0790 | Energy: -82.612061 | Delta: 2.84e-02 | M: 3507.7864 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 790: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0790.npy. -Iter 0791 | Energy: -82.584773 | Delta: 2.73e-02 | M: 5675.5558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0792 | Energy: -82.584726 | Delta: 4.73e-05 | M: 3663.8811 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0793 | Energy: -82.604813 | Delta: 2.01e-02 | M: 2.4860 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0794 | Energy: -82.594475 | Delta: 1.03e-02 | M: 4775.6592 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0795 | Energy: -82.608818 | Delta: 1.43e-02 | M: 3932.2888 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 795: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0795.npy. -Iter 0796 | Energy: -82.621431 | Delta: 1.26e-02 | M: 1.4996 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0797 | Energy: -82.594362 | Delta: 2.71e-02 | M: 9.7115 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0798 | Energy: -82.598374 | Delta: 4.01e-03 | M: 47.2091 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0799 | Energy: -82.600604 | Delta: 2.23e-03 | M: 4993.2903 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0800 | Energy: -82.619773 | Delta: 1.92e-02 | M: 3681.2174 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 800: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0800.npy. -Iter 0801 | Energy: -82.606917 | Delta: 1.29e-02 | M: 2.7335 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0802 | Energy: -82.620964 | Delta: 1.40e-02 | M: 6.3057 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0803 | Energy: -82.585603 | Delta: 3.54e-02 | M: 7.9129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0804 | Energy: -82.609506 | Delta: 2.39e-02 | M: 10.9270 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0805 | Energy: -82.621177 | Delta: 1.17e-02 | M: 8.8763 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 805: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0805.npy. -Iter 0806 | Energy: -82.618937 | Delta: 2.24e-03 | M: 23.0354 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0807 | Energy: -82.642443 | Delta: 2.35e-02 | M: 3768.4843 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0808 | Energy: -82.603555 | Delta: 3.89e-02 | M: 48.6239 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0809 | Energy: -82.598634 | Delta: 4.92e-03 | M: 4641.4716 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0810 | Energy: -82.579791 | Delta: 1.88e-02 | M: 5241.0922 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 810: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0810.npy. -Iter 0811 | Energy: -82.614093 | Delta: 3.43e-02 | M: 2.8775 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0812 | Energy: -82.616676 | Delta: 2.58e-03 | M: 25.3006 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0813 | Energy: -82.630562 | Delta: 1.39e-02 | M: 6.6933 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0814 | Energy: -82.613763 | Delta: 1.68e-02 | M: 3753.1512 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0815 | Energy: -82.632187 | Delta: 1.84e-02 | M: 4689.7477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 815: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0815.npy. -Iter 0816 | Energy: -82.605877 | Delta: 2.63e-02 | M: 4.9870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0817 | Energy: -82.616617 | Delta: 1.07e-02 | M: 4686.5189 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0818 | Energy: -82.638717 | Delta: 2.21e-02 | M: 4549.5129 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0819 | Energy: -82.603124 | Delta: 3.56e-02 | M: 5297.7034 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0820 | Energy: -82.600253 | Delta: 2.87e-03 | M: 4233.3934 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 820: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0820.npy. -Iter 0821 | Energy: -82.641009 | Delta: 4.08e-02 | M: 2940.6380 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0822 | Energy: -82.610316 | Delta: 3.07e-02 | M: 19.5775 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0823 | Energy: -82.638502 | Delta: 2.82e-02 | M: 4730.2041 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0824 | Energy: -82.597455 | Delta: 4.10e-02 | M: 6503.4963 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0825 | Energy: -82.612276 | Delta: 1.48e-02 | M: 5278.6990 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 825: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0825.npy. -Iter 0826 | Energy: -82.615358 | Delta: 3.08e-03 | M: 3443.9956 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0827 | Energy: -82.621578 | Delta: 6.22e-03 | M: 4496.0644 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0828 | Energy: -82.643752 | Delta: 2.22e-02 | M: 4620.7351 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0829 | Energy: -82.660897 | Delta: 1.71e-02 | M: 25.8568 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0830 | Energy: -82.614633 | Delta: 4.63e-02 | M: 4644.3626 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 830: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0830.npy. -Iter 0831 | Energy: -82.660088 | Delta: 4.55e-02 | M: 4276.7682 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0832 | Energy: -82.630740 | Delta: 2.93e-02 | M: 98.2484 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0833 | Energy: -82.643031 | Delta: 1.23e-02 | M: 4047.2042 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0834 | Energy: -82.649993 | Delta: 6.96e-03 | M: 5216.0870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0835 | Energy: -82.662087 | Delta: 1.21e-02 | M: 3747.1155 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 835: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0835.npy. -Iter 0836 | Energy: -82.620546 | Delta: 4.15e-02 | M: 4631.6690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0837 | Energy: -82.650713 | Delta: 3.02e-02 | M: 4377.0467 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0838 | Energy: -82.665059 | Delta: 1.43e-02 | M: 3905.3880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0839 | Energy: -82.634822 | Delta: 3.02e-02 | M: 6003.2920 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0840 | Energy: -82.666770 | Delta: 3.19e-02 | M: 5688.6354 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 840: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0840.npy. -Iter 0841 | Energy: -82.640295 | Delta: 2.65e-02 | M: 3655.6927 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0842 | Energy: -82.625120 | Delta: 1.52e-02 | M: 2971.0718 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0843 | Energy: -82.645646 | Delta: 2.05e-02 | M: 5717.6213 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0844 | Energy: -82.670752 | Delta: 2.51e-02 | M: 48.8154 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0845 | Energy: -82.660698 | Delta: 1.01e-02 | M: 5205.8205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 845: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0845.npy. -Iter 0846 | Energy: -82.634339 | Delta: 2.64e-02 | M: 4996.7883 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0847 | Energy: -82.632725 | Delta: 1.61e-03 | M: 4075.9935 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0848 | Energy: -82.660835 | Delta: 2.81e-02 | M: 3298.2906 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0849 | Energy: -82.634605 | Delta: 2.62e-02 | M: 23.8052 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0850 | Energy: -82.626348 | Delta: 8.26e-03 | M: 4827.0112 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 850: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0850.npy. -Iter 0851 | Energy: -82.660649 | Delta: 3.43e-02 | M: 6243.6870 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0852 | Energy: -82.650050 | Delta: 1.06e-02 | M: 6491.4646 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0853 | Energy: -82.635624 | Delta: 1.44e-02 | M: 5755.7156 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0854 | Energy: -82.615683 | Delta: 1.99e-02 | M: 2.3204 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0855 | Energy: -82.657899 | Delta: 4.22e-02 | M: 2.2503 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 855: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0855.npy. -Iter 0856 | Energy: -82.648451 | Delta: 9.45e-03 | M: 5101.9609 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0857 | Energy: -82.670807 | Delta: 2.24e-02 | M: 7034.7236 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0858 | Energy: -82.634161 | Delta: 3.66e-02 | M: 4962.5846 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0859 | Energy: -82.647004 | Delta: 1.28e-02 | M: 5269.1986 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0860 | Energy: -82.643506 | Delta: 3.50e-03 | M: 22.5880 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 860: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0860.npy. -Iter 0861 | Energy: -82.646775 | Delta: 3.27e-03 | M: 5511.8492 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0862 | Energy: -82.626978 | Delta: 1.98e-02 | M: 55.6504 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0863 | Energy: -82.684608 | Delta: 5.76e-02 | M: 3259.4338 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0864 | Energy: -82.641600 | Delta: 4.30e-02 | M: 5092.4012 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0865 | Energy: -82.660204 | Delta: 1.86e-02 | M: 4236.9750 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 865: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0865.npy. -Iter 0866 | Energy: -82.651466 | Delta: 8.74e-03 | M: 4223.4659 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0867 | Energy: -82.634579 | Delta: 1.69e-02 | M: 4345.4199 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0868 | Energy: -82.650218 | Delta: 1.56e-02 | M: 52.1988 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0869 | Energy: -82.657005 | Delta: 6.79e-03 | M: 4102.5145 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0870 | Energy: -82.650674 | Delta: 6.33e-03 | M: 4346.3080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 870: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0870.npy. -Iter 0871 | Energy: -82.669190 | Delta: 1.85e-02 | M: 4431.7588 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0872 | Energy: -82.670307 | Delta: 1.12e-03 | M: 152.1315 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0873 | Energy: -82.647457 | Delta: 2.29e-02 | M: 4200.5473 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0874 | Energy: -82.670967 | Delta: 2.35e-02 | M: 5115.1815 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0875 | Energy: -82.676625 | Delta: 5.66e-03 | M: 5516.2391 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 875: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0875.npy. -Iter 0876 | Energy: -82.678831 | Delta: 2.21e-03 | M: 3932.0923 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0877 | Energy: -82.649935 | Delta: 2.89e-02 | M: 4846.2200 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0878 | Energy: -82.640351 | Delta: 9.58e-03 | M: 5188.8543 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0879 | Energy: -82.676181 | Delta: 3.58e-02 | M: 6088.3740 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0880 | Energy: -82.680791 | Delta: 4.61e-03 | M: 4885.7558 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 880: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0880.npy. -Iter 0881 | Energy: -82.650712 | Delta: 3.01e-02 | M: 1.6184 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0882 | Energy: -82.676005 | Delta: 2.53e-02 | M: 2.4430 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0883 | Energy: -82.672171 | Delta: 3.83e-03 | M: 4000.9088 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0884 | Energy: -82.646401 | Delta: 2.58e-02 | M: 2.7395 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0885 | Energy: -82.678284 | Delta: 3.19e-02 | M: 4227.0613 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 885: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0885.npy. -Iter 0886 | Energy: -82.650030 | Delta: 2.83e-02 | M: 30.7112 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0887 | Energy: -82.680481 | Delta: 3.05e-02 | M: 5131.8354 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0888 | Energy: -82.646250 | Delta: 3.42e-02 | M: 4727.0218 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0889 | Energy: -82.668529 | Delta: 2.23e-02 | M: 3.7738 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0890 | Energy: -82.654422 | Delta: 1.41e-02 | M: 4571.8742 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 890: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0890.npy. -Iter 0891 | Energy: -82.672878 | Delta: 1.85e-02 | M: 9.6671 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0892 | Energy: -82.690826 | Delta: 1.79e-02 | M: 5589.4909 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0893 | Energy: -82.647392 | Delta: 4.34e-02 | M: 5095.6201 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0894 | Energy: -82.665641 | Delta: 1.82e-02 | M: 12.4140 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0895 | Energy: -82.662223 | Delta: 3.42e-03 | M: 30.7806 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 895: Global theta state checkpointed at path checkpoints/H2O/checkpoint_iter_0895.npy. -Iter 0896 | Energy: -82.680151 | Delta: 1.79e-02 | M: 4783.5375 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[VQE] Best physical energy: -74.792123 Ha (error: 0.2203 Ha) at iter 37 -[VQE] Final energy -82.680151 is below FCI - reporting best physical result - -[H2O] Ansatz tier:hwe_adaptive -[H2O] Corr score: 0.502 -[H2O] Best physical energy: -74.792123 Ha -[H2O] Reference FCI : -75.012437 Ha -[H2O] Absolute error: +0.2203 Ha -[H2O] Iterations run: 896 (best at iter 37) -[H2O] Wall time: 178.63s (includes QPU queue + RTT) -[H2O] Time/iter: 0.20 s -[H2O] Source: registry -[H2O] Active electrons: 8 -[H2O] Estimated qubits: 12 -[H2O] Note: Frozen 2 core electrons. Active space: 8 electrons, 12 qubits - - RUNNING SCALING (with P=8 ranks) -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.391347 | Delta: inf | M: 1.6641 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -0.353292 | Delta: 3.81e-02 | M: 9.4080 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -0.417267 | Delta: 6.40e-02 | M: 29.5513 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -0.638010 | Delta: 2.21e-01 | M: 24.4919 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -0.721660 | Delta: 8.36e-02 | M: 1.2014 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -1.100416 | Delta: 3.79e-01 | M: 13.0040 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -1.138763 | Delta: 3.83e-02 | M: 27.6698 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -1.283152 | Delta: 1.44e-01 | M: 29.5779 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -1.253480 | Delta: 2.97e-02 | M: 17.2477 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -1.289499 | Delta: 3.60e-02 | M: 18.5153 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/scaling/checkpoint_iter_0010.npy. -[Scaling] P=8 T_total=1.4154 final_E=-1.289499 tier=hwe_adaptive qubits=12 iters=10 - - RUNNING WEAK SCALING (P=8, molecule=H2O) -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -3.286324 | Delta: inf | M: 0.0282 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0002 | Energy: -3.745387 | Delta: 4.59e-01 | M: 148.9283 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0003 | Energy: -40.863624 | Delta: 3.71e+01 | M: 2.7700 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0004 | Energy: -45.124842 | Delta: 4.26e+00 | M: 3277.1205 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0005 | Energy: -54.826634 | Delta: 9.70e+00 | M: 11.2976 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -54.779163 | Delta: 4.75e-02 | M: 3619.8064 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0007 | Energy: -55.208796 | Delta: 4.30e-01 | M: 5535.1690 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0008 | Energy: -55.331311 | Delta: 1.23e-01 | M: 3559.2250 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0009 | Energy: -55.587289 | Delta: 2.56e-01 | M: 4979.5348 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -Iter 0010 | Energy: -55.695238 | Delta: 1.08e-01 | M: 4835.8937 | Path: GPU-cuStateVec MPI-distributed (8 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/weak_scaling/checkpoint_iter_0010.npy. -[Weak Scaling] P=8 mol=H2O terms=1086 terms/rank=136 T_total=14.1058 T/iter=1.4106 final_E=-55.695238 - - - ----ALL LOCAL BENCHMARKS COMPLETE ---- -Ranks used : 8 -GPU : True -Backend : simulator -Molecule Energy (Ha) Error (Ha) Ansatz Corr Iters Time(s) T/iter(s) -H2 -1.137153 +0.0001 Ha HWE (adaptive) 0.342 200 19.89 0.0994 -LiH -7.546284 +0.3362 Ha HWE (adaptive) 0.502 768 87.82 0.1144 -BeH2 -15.555709 +0.0394 Ha HWE (adaptive) 0.501 896 177.69 0.1983 -H2O -74.792123 +0.2203 Ha HWE (adaptive) 0.502 896 178.63 0.1994 -[Results] Saved to results/simulator/simulator_20260417_000732.json -[ 600.15s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[ 600.15s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[ 600.15s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[ 600.15s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[ 600.16s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[ 600.15s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[ 600.16s] Log closed -hpc_core and interface imported. -[ 0.00s] Log started -[Config] GPU=requested -[Config] Molecules: ['H2', 'LiH', 'BeH2', 'H2O'] -[Config] Resolver: max_qubits=20, cache=.pubchem_cache/ -[Resolver] 'H2' found in local registry -[Chemistry:H2] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'BeH2' found in local registry -[Chemistry:BeH2] 666 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -15.5951 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.501 | off_diag_ratio=0.004 -[Reason] score=0.501 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.004, zz_frac=0.977). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[Resolver] 'LiH' found in local registry -[Chemistry:LiH] 631 Pauli terms, 12 qubits, 96 params, reps=2. FCI reference: -7.8825 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.979). Adaptive HWE with full entanglement recommended. -[Resolver] 'H2O' found in local registry -[Chemistry:H2O] 1086 Pauli terms, 14 qubits, 112 params, reps=2. FCI reference: -75.0124 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.502 | off_diag_ratio=0.007 -[Reason] score=0.502 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.007, zz_frac=0.986). Adaptive HWE with full entanglement recommended. -[ 600.15s] Log closed diff --git a/results_hpc/slurm/vqe-trial_2542.log b/results_hpc/slurm/vqe-trial_2542.log deleted file mode 100644 index 20c2121..0000000 --- a/results_hpc/slurm/vqe-trial_2542.log +++ /dev/null @@ -1,5 +0,0 @@ - -EnvironmentNameNotFound: Could not find conda environment: hybrid-vqe -You can list all discoverable environments with `conda info --envs`. - - diff --git a/results_hpc/slurm/vqe-trial_2544.log b/results_hpc/slurm/vqe-trial_2544.log deleted file mode 100644 index 4fe2d3e..0000000 --- a/results_hpc/slurm/vqe-trial_2544.log +++ /dev/null @@ -1 +0,0 @@ -/home/capstone21/miniforge3/envs/hybrid-vqe/etc/conda/activate.d/~cuda-nvcc_activate.sh: line 41: NVCC_PREPEND_FLAGS: unbound variable diff --git a/results_hpc/slurm/vqe-trial_2545.log b/results_hpc/slurm/vqe-trial_2545.log deleted file mode 100644 index a29211a..0000000 --- a/results_hpc/slurm/vqe-trial_2545.log +++ /dev/null @@ -1 +0,0 @@ -/var/spool/slurmd/job02545/slurm_script: line 33: srun: command not found diff --git a/results_hpc/slurm/vqe-trial_2546.log b/results_hpc/slurm/vqe-trial_2546.log deleted file mode 100644 index 4e9b659..0000000 --- a/results_hpc/slurm/vqe-trial_2546.log +++ /dev/null @@ -1 +0,0 @@ -/var/spool/slurmd/job02546/slurm_script: line 34: /usr/bin/srun: No such file or directory diff --git a/results_hpc/slurm/vqe-trial_2547.log b/results_hpc/slurm/vqe-trial_2547.log deleted file mode 100644 index 79546ba..0000000 --- a/results_hpc/slurm/vqe-trial_2547.log +++ /dev/null @@ -1,16 +0,0 @@ -[1776259111.193885] [haskell:675521:0] ib_iface.c:1315 UCX ERROR irdma0: iface 0x64dc9fdbae20 failed to create UD QP TX wr:256 sge:6 inl:64 resp:0 RX wr:4096 sge:1 resp:0 failed: Invalid argument -[1776259111.193907] [haskell:675520:0] ib_iface.c:1315 UCX ERROR irdma0: iface 0x64d422a434f0 failed to create UD QP TX wr:256 sge:6 inl:64 resp:0 RX wr:4096 sge:1 resp:0 failed: Invalid argument -[1776259111.193952] [haskell:675521:0] ucp_worker.c:1415 UCX ERROR uct_iface_open(ud_verbs/irdma0:1) failed: Input/output error -[1776259111.193970] [haskell:675520:0] ucp_worker.c:1415 UCX ERROR uct_iface_open(ud_verbs/irdma0:1) failed: Input/output error -Abort(136463759): Fatal error in internal_Init_thread: Other MPI error, error stack: -internal_Init_thread(71).: MPI_Init_thread(argc=(nil), argv=(nil), required=3, provided=0x7ffd1d8c7e30) failed -MPII_Init_thread(261)....: -MPID_Init(549)...........: -MPIDI_UCX_init_local(234): -MPIDI_UCX_init_worker(86): ucx function returned with failed status(ucx_init.c 86 MPIDI_UCX_init_worker Input/output error) -Abort(673334671): Fatal error in internal_Init_thread: Other MPI error, error stack: -internal_Init_thread(71).: MPI_Init_thread(argc=(nil), argv=(nil), required=3, provided=0x7ffe7f2ff560) failed -MPII_Init_thread(261)....: -MPID_Init(549)...........: -MPIDI_UCX_init_local(234): -MPIDI_UCX_init_worker(86): ucx function returned with failed status(ucx_init.c 86 MPIDI_UCX_init_worker Input/output error) diff --git a/results_hpc/slurm/vqe-trial_2548.log b/results_hpc/slurm/vqe-trial_2548.log deleted file mode 100644 index 1697bd3..0000000 --- a/results_hpc/slurm/vqe-trial_2548.log +++ /dev/null @@ -1,261 +0,0 @@ -[MASTER] Dispatching QASM to Cloud QPU.. simulator... -[Manager] QPU result = 0 (residual wait = 0.00669ms) -[Reduce] E+ Global : -1.34537 | E- global: -1.36567 QPU= 0 -[ 0.00s] Log started -[Stack] GPU statevector (cuStateVec) available -[Stack] Initialized 2 MPI rank(s), GPU=enabled, SV_backend=GPU (cuStateVec), backend='simulator' - -============================================================ -LAYER 1: MPI Bridge -============================================================ -Total MPI ranks: 2 -This rank: 0 -GPU enabled: True -Backend target: simulator -MPI Barrier: PASSED -[LAYER 1] OK - -============================================================ -LAYER 2: Problem Preparation -============================================================ -Building H2 molecule (smallest possible — fast to prepare) ... -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Pauli terms: 15 -Qubits: 4 -Variational params: 24 - QASM length: 1194 chars - - First 3 Pauli terms: -IIII : -0.812171 -IIIZ : +0.171413 -IIZI : -0.223432 -[LAYER 2] OK -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -LAYER 3: C++ Dispatcher (single dispatch) -============================================================ -Dispatching combined params vector (len=48) ... -E+: -1.345367 -E-: -1.365669 -Execution time: 0.0812 s -Masking metric M: 0.0153 -Used path: MPI + CUDA (mixed-precision) -Wall time (Python): 0.0845 s -Status: OK -[LAYER 3] OK - -============================================================ -LAYER 4: VQE Loop (H2, 10 iterations) -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.045204 | Delta: inf | M: 1850.9442 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.039179 | Delta: 6.03e-03 | M: 403.0874 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.040295 | Delta: 1.12e-03 | M: 3545.9777 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.058314 | Delta: 1.80e-02 | M: 3291.5994 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.083582 | Delta: 2.53e-02 | M: 2932.7807 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.093602 | Delta: 1.00e-02 | M: 3611.0877 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.089882 | Delta: 3.72e-03 | M: 2246.3908 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.121209 | Delta: 3.13e-02 | M: 33.7077 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.137620 | Delta: 1.64e-02 | M: 2940.1934 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.146495 | Delta: 8.88e-03 | M: 3880.2557 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/checkpoint_iter_0010.npy. - - Iterations run: 10 -Initial energy: -0.045204 Ha -Final energy: -0.146495 Ha -Energy change: -0.101291 Ha -Wall time: 1.81 s -Time per iter: 0.18 s -[LAYER 4] OK - -============================================================ -LAYER 6: Checkpoint Resilience -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036959 | Delta: inf | M: 3.2498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.060664 | Delta: 2.37e-02 | M: 2414.2380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.125337 | Delta: 6.47e-02 | M: 111.5401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.130185 | Delta: 4.85e-03 | M: 3630.0906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.135336 | Delta: 5.15e-03 | M: 2823.1756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/_resilience_test/checkpoint_iter_0005.npy. -Checkpoint file: checkpoints/_resilience_test/checkpoint_iter_0005.npy -Saved theta shape: (24,) -Saved theta[:3]: [-0.27342546 -0.26401812 -0.15241915] - - Restarting from checkpoint... -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[RESILIENCE] Loading θ from checkpoints/_resilience_test/checkpoint_iter_0005.npy... -[RESILIENCE] Resuming SPSA schedle from iteration 5 -Iter 0006 | Energy: -0.136299 | Delta: inf | M: 3062.5888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.160624 | Delta: 2.43e-02 | M: 2319.9547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.184557 | Delta: 2.39e-02 | M: 3628.7212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.212996 | Delta: 2.84e-02 | M: 3715.4519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.235384 | Delta: 2.24e-02 | M: 3769.0634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/_resilience_test/checkpoint_iter_0010.npy. - Pre-checkpoint energy (iter 5): -0.135336 Ha - Post-restart energy (iter 6): -0.136299 Ha - Energy discontinuity: 0.000963 Ha -Post-restart iterations: 5 -[LAYER 6] OK - -============================================================ -STRESS TEST: QPU Latency Spiking -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.026644 | Delta: inf | M: 0.1504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.027623 | Delta: 9.79e-04 | M: 0.0548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.025427 | Delta: 2.20e-03 | M: 0.0786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.026901 | Delta: 1.47e-03 | M: 0.0505 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.033796 | Delta: 6.90e-03 | M: 0.0626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/_stress_latency/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.032748 | Delta: 1.05e-03 | M: 0.0769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.026101 | Delta: 6.65e-03 | M: 0.1180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.034767 | Delta: 8.67e-03 | M: 0.1208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.038985 | Delta: 4.22e-03 | M: 0.0508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.042750 | Delta: 3.76e-03 | M: 0.0478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/_stress_latency/checkpoint_iter_0010.npy. - Completed 10 iterations in 11.96s under latency spiking[ 0.00s] Log started - -============================================================ -LAYER 1: MPI Bridge -============================================================ - -============================================================ -LAYER 2: Problem Preparation -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -LAYER 3: C++ Dispatcher (single dispatch) -============================================================ - -============================================================ -LAYER 4: VQE Loop (H2, 10 iterations) -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -LAYER 6: Checkpoint Resilience -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -STRESS TEST: QPU Latency Spiking -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - [Latency Spike] Rank 1 injecting 0.50s delay - [Latency Spike] Rank 1 injecting 1.35s delay - [Latency Spike] Rank 1 injecting 0.96s delay - [Latency Spike] Rank 1 injecting 1.47s delay - [Latency Spike] Rank 1 injecting 1.18s delay - [Latency Spike] Rank 1 injecting 0.96s delay - [Latency Spike] Rank 1 injecting 0.63s delay - [Latency Spike] Rank 1 injecting 0.61s delay - [Latency Spike] Rank 1 injecting 1.45s delay - [Latency Spike] Rank 1 injecting 1.55s delay - -============================================================ -STRESS TEST: Drop-Out Recovery -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -TRIAL RUN SUMMARY -============================================================ -[ 20.31s] Log closed - - Energy range: 0.017323 Ha - MPI synchronization maintained across variable-latency ranks -[STRESS TEST: Latency Spiking] OK - -============================================================ -STRESS TEST: Drop-Out Recovery -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036757 | Delta: inf | M: 3.3649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.034451 | Delta: 2.31e-03 | M: 3634.4154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.045015 | Delta: 1.06e-02 | M: 3747.9510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.029154 | Delta: 1.59e-02 | M: 3625.1805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.051905 | Delta: 2.28e-02 | M: 3742.5601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/_stress_dropout/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.057849 | Delta: 5.94e-03 | M: 3697.8714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.064292 | Delta: 6.44e-03 | M: 3810.1761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.060893 | Delta: 3.40e-03 | M: 3663.3012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.066076 | Delta: 5.18e-03 | M: 3647.4900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.086044 | Delta: 2.00e-02 | M: 3747.8598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/_stress_dropout/checkpoint_iter_0010.npy. - Phase 1: 10 iterations, E(5)=-0.051905, E(10)=-0.086044 - [Crash Simulated] Deleted checkpoints/_stress_dropout/checkpoint_iter_0010.npy — system must recover from iter 5 -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[RESILIENCE] Loading θ from checkpoints/_stress_dropout/checkpoint_iter_0005.npy... -[RESILIENCE] Resuming SPSA schedle from iteration 5 -Iter 0006 | Energy: -0.062528 | Delta: inf | M: 63.8053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.057976 | Delta: 4.55e-03 | M: 164.8038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.065825 | Delta: 7.85e-03 | M: 478.1441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.070011 | Delta: 4.19e-03 | M: 2179.1580 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.123163 | Delta: 5.32e-02 | M: 4251.4961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/_stress_dropout/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.146806 | Delta: 2.36e-02 | M: 215.9317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.177184 | Delta: 3.04e-02 | M: 124.1218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.279957 | Delta: 1.03e-01 | M: 3875.1029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.287208 | Delta: 7.25e-03 | M: 194.3141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.287555 | Delta: 3.47e-04 | M: 212.1580 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/_stress_dropout/checkpoint_iter_0015.npy. - Phase 2: 10 post-recovery iterations, final E=-0.287555 - Recovery successful: optimization resumed from checkpoint without data loss -[STRESS TEST: Drop-Out Recovery] OK - -============================================================ -TRIAL RUN SUMMARY -============================================================ -MPI ranks used: 2 -GPU enabled: True -Backend: simulator -Tests passed: 7 / 7 -[PASS] MPI Bridge -[PASS] Problem Preparation -[PASS] C++ Dispatcher -[PASS] VQE Loop -[PASS] Checkpoint Resilience -[PASS] Latency Spiking -[PASS] Drop-Out Recovery - - All layers verified, stack is ready. -[ 20.31s] Log closed diff --git a/results_hpc/trial/trial_20260415_151830.log b/results_hpc/trial/trial_20260415_151830.log deleted file mode 100644 index 3d59046..0000000 --- a/results_hpc/trial/trial_20260415_151830.log +++ /dev/null @@ -1 +0,0 @@ -[ 0.00s] Log started diff --git a/results_hpc/trial/trial_20260415_152057.log b/results_hpc/trial/trial_20260415_152057.log deleted file mode 100644 index fab619d..0000000 --- a/results_hpc/trial/trial_20260415_152057.log +++ /dev/null @@ -1,177 +0,0 @@ -[ 0.00s] Log started - -==============================================[Stack] Initi -LAYER 1: MPI Bridge -============================================================ - -============================================================ -LAYER 2: Problem Preparation -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -LAYER 3: C++ Dispatcher (single dispatch) -============================================================ - -============================================================ -LAYER 4: VQE Loop (H2, 10 iterations) -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -LAYER 6: Checkpoint Resilience -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -STRESS TEST: QPU Latency Spiking -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - [Latency Spike] Rank 1 injecting 0.50s delay - [Latency Spike] Rank 1 injecting 1.35s delay - [Latency Spike] Rank 1 injecting 0.96s delay - [Latency Spike] Rank 1 injecting 1.47s delay - [Latency Spike] Rank 1 injecting 1.18s delay - [Latency Spike] Rank 1 injecting 0.96s delay - [Latency Spike] Rank 1 injecting 0.63s delay - [Latency Spike] Rank 1 injecting 0.61s delay - [Latency Spike] Rank 1 injecting 1.45s delay - [Latency Spike] Rank 1 injecting 1.55s delay - -============================================================ -STRESS TEST: Drop-Out Recovery -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. - -============================================================ -TRIAL RUN SUMMARY -============================================================ -[ 20.31s] Log closed -Iter 0001 | Energy: -0.036959 | Delta: inf | M: 3.2498 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.060664 | Delta: 2.37e-02 | M: 2414.2380 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.125337 | Delta: 6.47e-02 | M: 111.5401 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.130185 | Delta: 4.85e-03 | M: 3630.0906 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.135336 | Delta: 5.15e-03 | M: 2823.1756 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/_resilience_test/checkpoint_iter_0005.npy. -Checkpoint file: checkpoints/_resilience_test/checkpoint_iter_0005.npy -Saved theta shape: (24,) -Saved theta[:3]: [-0.27342546 -0.26401812 -0.15241915] - - Restarting from checkpoint... -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[RESILIENCE] Loading θ from checkpoints/_resilience_test/checkpoint_iter_0005.npy... -[RESILIENCE] Resuming SPSA schedle from iteration 5 -Iter 0006 | Energy: -0.136299 | Delta: inf | M: 3062.5888 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.160624 | Delta: 2.43e-02 | M: 2319.9547 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.184557 | Delta: 2.39e-02 | M: 3628.7212 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.212996 | Delta: 2.84e-02 | M: 3715.4519 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.235384 | Delta: 2.24e-02 | M: 3769.0634 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/_resilience_test/checkpoint_iter_0010.npy. - Pre-checkpoint energy (iter 5): -0.135336 Ha - Post-restart energy (iter 6): -0.136299 Ha - Energy discontinuity: 0.000963 Ha -Post-restart iterations: 5 -[LAYER 6] OK - -============================================================ -STRESS TEST: QPU Latency Spiking -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.026644 | Delta: inf | M: 0.1504 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.027623 | Delta: 9.79e-04 | M: 0.0548 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.025427 | Delta: 2.20e-03 | M: 0.0786 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.026901 | Delta: 1.47e-03 | M: 0.0505 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.033796 | Delta: 6.90e-03 | M: 0.0626 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/_stress_latency/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.032748 | Delta: 1.05e-03 | M: 0.0769 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.026101 | Delta: 6.65e-03 | M: 0.1180 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.034767 | Delta: 8.67e-03 | M: 0.1208 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.038985 | Delta: 4.22e-03 | M: 0.0508 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.042750 | Delta: 3.76e-03 | M: 0.0478 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/_stress_latency/checkpoint_iter_0010.npy. - Completed 10 iterations in 11.96s under latency spiking - Energy range: 0.017323 Ha - MPI synchronization maintained across variable-latency ranks -[STRESS TEST: Latency Spiking] OK - -============================================================ -STRESS TEST: Drop-Out Recovery -============================================================ -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -Iter 0001 | Energy: -0.036757 | Delta: inf | M: 3.3649 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0002 | Energy: -0.034451 | Delta: 2.31e-03 | M: 3634.4154 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0003 | Energy: -0.045015 | Delta: 1.06e-02 | M: 3747.9510 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0004 | Energy: -0.029154 | Delta: 1.59e-02 | M: 3625.1805 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0005 | Energy: -0.051905 | Delta: 2.28e-02 | M: 3742.5601 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 5: Global theta state checkpointed at path checkpoints/_stress_dropout/checkpoint_iter_0005.npy. -Iter 0006 | Energy: -0.057849 | Delta: 5.94e-03 | M: 3697.8714 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.064292 | Delta: 6.44e-03 | M: 3810.1761 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.060893 | Delta: 3.40e-03 | M: 3663.3012 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.066076 | Delta: 5.18e-03 | M: 3647.4900 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.086044 | Delta: 2.00e-02 | M: 3747.8598 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/_stress_dropout/checkpoint_iter_0010.npy. - Phase 1: 10 iterations, E(5)=-0.051905, E(10)=-0.086044 - [Crash Simulated] Deleted checkpoints/_stress_dropout/checkpoint_iter_0010.npy — system must recover from iter 5 -[Chemistry:custom] 15 Pauli terms, 4 qubits, 24 params, reps=1. FCI reference: -1.1373 Ha -[Ansatz] HWE (adaptive) (auto) | corr_score=0.342 | off_diag_ratio=0.056 -[Reason] score=0.342 in [0.25, 0.55). Moderate correlation (off_diag_ratio=0.056, zz_frac=0.667). Adaptive HWE with full entanglement recommended. -[RESILIENCE] Loading θ from checkpoints/_stress_dropout/checkpoint_iter_0005.npy... -[RESILIENCE] Resuming SPSA schedle from iteration 5 -Iter 0006 | Energy: -0.062528 | Delta: inf | M: 63.8053 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0007 | Energy: -0.057976 | Delta: 4.55e-03 | M: 164.8038 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0008 | Energy: -0.065825 | Delta: 7.85e-03 | M: 478.1441 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0009 | Energy: -0.070011 | Delta: 4.19e-03 | M: 2179.1580 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0010 | Energy: -0.123163 | Delta: 5.32e-02 | M: 4251.4961 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 10: Global theta state checkpointed at path checkpoints/_stress_dropout/checkpoint_iter_0010.npy. -Iter 0011 | Energy: -0.146806 | Delta: 2.36e-02 | M: 215.9317 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0012 | Energy: -0.177184 | Delta: 3.04e-02 | M: 124.1218 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0013 | Energy: -0.279957 | Delta: 1.03e-01 | M: 3875.1029 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0014 | Energy: -0.287208 | Delta: 7.25e-03 | M: 194.3141 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -Iter 0015 | Energy: -0.287555 | Delta: 3.47e-04 | M: 212.1580 | Path: GPU-cuStateVec MPI-distributed (2 ranks) -[RESILIENCE] Iteration 15: Global theta state checkpointed at path checkpoints/_stress_dropout/checkpoint_iter_0015.npy. - Phase 2: 10 post-recovery iterations, final E=-0.287555 - Recovery successful: optimization resumed from checkpoint without data loss -[STRESS TEST: Drop-Out Recovery] OK - -============================================================ -TRIAL RUN SUMMARY -============================================================ -MPI ranks used: 2 -GPU enabled: True -Backend: simulator -Tests passed: 7 / 7 -[PASS] MPI Bridge -[PASS] Problem Preparation -[PASS] C++ Dispatcher -[PASS] VQE Loop -[PASS] Checkpoint Resilience -[PASS] Latency Spiking -[PASS] Drop-Out Recovery - - All layers verified, stack is ready. -[ 20.31s] Log closed diff --git a/src/api/hardware.py b/src/api/hardware.py index a1357cf..48e56cb 100644 --- a/src/api/hardware.py +++ b/src/api/hardware.py @@ -14,6 +14,8 @@ from __future__ import annotations import os +import re +import socket import subprocess from dataclasses import dataclass, field @@ -41,6 +43,7 @@ class HardwareProfile: has_cuda: bool = False gpu_name: str = "" gpu_class: str = "unknown" # datacenter | workstation | consumer | unknown + hostname: str = "" gpu_memory_gb: float = 0.0 fp64_ratio: float = 1 / 32 # estimated FP64:FP32 throughput compute_capability: tuple[int, int] | None = None @@ -62,6 +65,7 @@ def detect(cls) -> HardwareProfile: p.override_precision = os.environ.get("VQE_PRECISION", "auto").strip().lower() p.override_backend = os.environ.get("VQE_BACKEND", "auto").strip().lower() p.override_use_gpu = os.environ.get("USE_GPU", "").strip().lower() + p.hostname = socket.gethostname() p._detect_gpu() p._detect_libs() p._detect_mpi() @@ -181,6 +185,18 @@ def max_qubits_fit(self, precision: str = "fp64") -> int: n += 1 return n + def results_slug(self) -> str: + """Filesystem-safe hardware identifier used to route results into + results//... so runs from different GPUs (or CPU-only) never + land in the same directory without being distinguishable. + """ + if not self.has_cuda or not self.gpu_name: + return "cpu-only" + name = re.sub(r"(?i)^nvidia\s+", "", self.gpu_name) + name = re.sub(r"(?i)\bmobile\b", "", name) + slug = re.sub(r"[^a-z0-9]+", "-", name.lower()).strip("-") + return slug or "gpu-unknown" + def describe(self) -> str: gpu = ( f"{self.gpu_name} ({self.gpu_class}, {self.gpu_memory_gb:.1f} GB, " diff --git a/src/api/results.py b/src/api/results.py index 161a4b2..7106cba 100644 --- a/src/api/results.py +++ b/src/api/results.py @@ -16,9 +16,10 @@ def _git_commit(): return "unknown" -def save_results(data: dict, backend: str, results_dir: str = "results") -> str: +def save_results(data: dict, backend: str, results_dir: str = "results", hw=None) -> str: # Save run results as JSON, returns the file path. - # Files are organized into subdirectories by backend type: + # Files are organized results/// so runs + # from different GPUs (or CPU-only) are never mixed in the same directory. # Map backend to subdirectory subdir_map = { @@ -27,7 +28,8 @@ def save_results(data: dict, backend: str, results_dir: str = "results") -> str: "serial_baseline": "baseline", } subdir = subdir_map.get(backend, backend) - out_dir = os.path.join(results_dir, subdir) + slug = hw.results_slug() if hw is not None else "unsorted" + out_dir = os.path.join(results_dir, slug, subdir) os.makedirs(out_dir, exist_ok=True) ts = datetime.now().strftime("%Y%m%d_%H%M%S") @@ -38,6 +40,9 @@ def save_results(data: dict, backend: str, results_dir: str = "results") -> str: "timestamp": datetime.now().isoformat(), "backend": backend, "git_commit": _git_commit(), + "gpu_name": hw.gpu_name if hw is not None else "", + "gpu_class": hw.gpu_class if hw is not None else "", + "hostname": hw.hostname if hw is not None else "", **data, } diff --git a/template.py b/template.py index 50f892a..d382d76 100644 --- a/template.py +++ b/template.py @@ -55,11 +55,16 @@ from src.api.interface import HPCHybridStack from src.api.problems import ChemistryProblem from src.api.log import init_log, close_log +from src.api.hardware import HardwareProfile # Auto-save all terminal output to a log file _ts = datetime.now().strftime("%Y%m%d_%H%M%S") -os.makedirs("results/simulator", exist_ok=True) -init_log(f"results/simulator/template_{_ts}.log") +# Detected once here purely to route the log/JSON output by hardware; +# HPCHybridStack below re-detects for its own use (cheap, avoids threading +# hw through init_log which runs before the stack exists). +_hw_slug = HardwareProfile.detect().results_slug() +os.makedirs(f"results/{_hw_slug}/simulator", exist_ok=True) +init_log(f"results/{_hw_slug}/simulator/template_{_ts}.log") # ================================================= @@ -202,34 +207,38 @@ # Save results to JSON - os.makedirs("results/simulator", exist_ok=True) + sim_dir = f"results/{stack.hw.results_slug()}/simulator" + os.makedirs(sim_dir, exist_ok=True) ts = datetime.now().strftime("%Y%m%d_%H%M%S") result_data = { "molecule": problem.name, "energy": report_energy, - "fci": fci, + "fci": fci, "error": abs(report_energy- fci) if fci else None, - "iterations":len(history), + "iterations":len(history), "best_iter": report_iter, - "qubits":problem.num_qubits, - "pauli_terms": len(problem.pauli_terms), - "params": problem.num_params, - "ansatz": problem.ansatz_tier, + "qubits":problem.num_qubits, + "pauli_terms": len(problem.pauli_terms), + "params": problem.num_params, + "ansatz": problem.ansatz_tier, "backend": BACKEND, "mpi_ranks": stack.size, "gpu": stack.use_gpu, + "gpu_name": stack.hw.gpu_name, + "gpu_class": stack.hw.gpu_class, + "hostname": stack.hw.hostname, "seed":SEED, "history":history, - } + } - out_path = f"results/simulator/template_{problem.name}_{ts}.json" + out_path = f"{sim_dir}/template_{problem.name}_{ts}.json" with open(out_path, "w") as f: - json.dump(result_data, f, indent=2) + json.dump(result_data, f, indent=2) print(f"\nResults saved to: {out_path}") print(f"Checkpoints in: checkpoints/{problem.name}/") - print(f"Full log saved to: results/simulator/template_{_ts}.log") + print(f"Full log saved to: results/{stack.hw.results_slug()}/simulator/template_{_ts}.log") close_log() \ No newline at end of file