All tasks for computer 648044



State: All (5) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (4) · Invalid (0) · Error (1)
Application: All (5) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (5) · 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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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
38583285 31547443 14 Dec 2025, 0:29:56 UTC 14 Dec 2025, 11:55:07 UTC Error while computing 6,285.41 6,285.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583190 31547362 13 Dec 2025, 21:55:10 UTC 14 Dec 2025, 0:29:40 UTC Completed and validated 8,928.69 8,928.69 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582176 31546531 12 Dec 2025, 22:43:15 UTC 13 Dec 2025, 16:16:01 UTC Completed and validated 9,802.64 9,802.64 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582177 31546532 12 Dec 2025, 22:43:15 UTC 13 Dec 2025, 13:38:03 UTC Completed and validated 9,770.57 9,770.57 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581805 31546223 12 Dec 2025, 15:30:28 UTC 12 Dec 2025, 17:07:16 UTC Completed and validated 4,957.06 4,957.06 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (5) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (4) · Invalid (0) · Error (1)
Application: All (5) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (5) · 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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