All tasks for computer 644453



State: All (3) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (1)
Application: All (3) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (3) · ATMbeta: Free energy calculations of protein-ligand binding (0) · ATMML: Free energy with neural networks (0) · LLM: LLMs for chemistry (0) · LLMS: LLMs for chemistry (Small) (0) · Quantum chemistry calculations on GPU (0)
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(sec)		CPU time
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38584802 31546635 18 Dec 2025, 1:25:48 UTC 23 Dec 2025, 1:25:48 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38581618 31545239 12 Dec 2025, 11:20:39 UTC 17 Dec 2025, 19:33:13 UTC Completed and validated 222,073.53 221,336.40 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579942 31545091 11 Dec 2025, 13:31:02 UTC 11 Dec 2025, 21:05:10 UTC Error while computing 232.04 29.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


State: All (3) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (1)
Application: All (3) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (3) · ATMbeta: Free energy calculations of protein-ligand binding (0) · ATMML: Free energy with neural networks (0) · LLM: LLMs for chemistry (0) · LLMS: LLMs for chemistry (Small) (0) · Quantum chemistry calculations on GPU (0)
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