All tasks for computer 645421



State: All (7) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (4)
Application: All (7) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (7) · 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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Task
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Show names		Work unit
click for details		SentTime reported
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
38584256 31545145 16 Dec 2025, 19:50:39 UTC 21 Dec 2025, 19:50:39 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583672 31547749 14 Dec 2025, 12:46:16 UTC 14 Dec 2025, 12:54:25 UTC Error while computing 307.01 192.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583053 31547257 13 Dec 2025, 18:14:16 UTC 14 Dec 2025, 5:50:11 UTC Error while computing 41,658.68 39,746.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582340 31546665 13 Dec 2025, 2:14:27 UTC 13 Dec 2025, 18:13:59 UTC Completed and validated 57,512.03 54,960.36 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38581309 31545835 12 Dec 2025, 10:44:10 UTC 13 Dec 2025, 2:14:10 UTC Completed and validated 55,767.54 53,406.14 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38581186 31545712 12 Dec 2025, 10:38:06 UTC 12 Dec 2025, 10:44:10 UTC Error while computing 284.97 186.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580595 31545328 11 Dec 2025, 16:09:16 UTC 11 Dec 2025, 16:42:02 UTC Error while computing 681.60 540.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


State: All (7) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (4)
Application: All (7) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (7) · 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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