All tasks for computer 621366



State: All (9) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (7)
Application: All (9) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (9) · 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
38582761 31547023 13 Dec 2025, 11:19:20 UTC 13 Dec 2025, 13:04:54 UTC Completed and validated 6,334.00 6,520.80 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582210 31545961 12 Dec 2025, 23:24:06 UTC 12 Dec 2025, 23:26:41 UTC Error while computing 30.36 0.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581684 31546137 12 Dec 2025, 13:02:13 UTC 12 Dec 2025, 14:16:31 UTC Completed and validated 4,458.00 4,489.87 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580155 31545111 11 Dec 2025, 14:00:45 UTC 11 Dec 2025, 14:07:55 UTC Error while computing 55.38 6.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580152 31545073 11 Dec 2025, 14:00:28 UTC 11 Dec 2025, 14:07:55 UTC Error while computing 55.37 6.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580153 31545025 11 Dec 2025, 14:00:28 UTC 11 Dec 2025, 14:07:55 UTC Error while computing 55.74 7.31 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580097 31545069 11 Dec 2025, 13:50:10 UTC 11 Dec 2025, 14:00:11 UTC Error while computing 55.24 7.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580098 31545103 11 Dec 2025, 13:50:10 UTC 11 Dec 2025, 14:00:11 UTC Error while computing 55.31 7.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580093 31545034 11 Dec 2025, 13:49:53 UTC 11 Dec 2025, 14:00:11 UTC Error while computing 58.87 5.68 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (9) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (7)
Application: All (9) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (9) · 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)
Task name:



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