All tasks for computer 645994



State: All (5) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (2)
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
38583497 31547616 14 Dec 2025, 7:12:57 UTC 14 Dec 2025, 9:58:14 UTC Completed and validated 9,917.00 10,034.38 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582973 31547191 13 Dec 2025, 16:05:41 UTC 13 Dec 2025, 16:57:47 UTC Error while computing 41.68 0.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582776 31547018 13 Dec 2025, 11:38:33 UTC 13 Dec 2025, 12:56:52 UTC Completed and validated 4,699.00 4,842.09 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582287 31545829 13 Dec 2025, 0:53:25 UTC 13 Dec 2025, 0:55:56 UTC Error while computing 23.37 0.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581751 31546185 12 Dec 2025, 14:21:31 UTC 12 Dec 2025, 15:58:37 UTC Completed and validated 4,801.69 4,801.69 750,000.00 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 (3) · Invalid (0) · Error (2)
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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