All tasks for computer 549972



State: All (3) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · 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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38584422 31547985 17 Dec 2025, 16:21:11 UTC 18 Dec 2025, 3:46:19 UTC Completed and validated 40,539.82 38,963.58 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583763 31547813 14 Dec 2025, 15:41:23 UTC 17 Dec 2025, 19:53:38 UTC Completed and validated 52,764.95 51,745.63 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582609 31544991 13 Dec 2025, 8:10:56 UTC 13 Dec 2025, 8:59:31 UTC Error while computing 520.41 43.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


State: All (3) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · 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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