All tasks for computer 626007



State: All (8) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (6)
Application: All (8) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (8) · 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
38600180 31554946 9 Apr 2026, 0:59:57 UTC 14 Apr 2026, 0:59:57 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38600088 31554872 8 Apr 2026, 23:59:53 UTC 13 Apr 2026, 23:59:53 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38599562 31554452 8 Apr 2026, 18:55:07 UTC 8 Apr 2026, 19:45:34 UTC Error while computing 38.28 0.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38599323 31554263 8 Apr 2026, 16:56:32 UTC 8 Apr 2026, 18:54:50 UTC Error while computing 36.64 0.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38598905 31553912 8 Apr 2026, 13:12:33 UTC 8 Apr 2026, 17:54:42 UTC Error while computing 39.52 0.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38598907 31553932 8 Apr 2026, 13:12:33 UTC 8 Apr 2026, 14:03:43 UTC Error while computing 42.27 1.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38598910 31553107 8 Apr 2026, 13:12:33 UTC 8 Apr 2026, 15:56:28 UTC Error while computing 36.71 0.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38596361 31552334 7 Apr 2026, 15:48:58 UTC 7 Apr 2026, 18:47:33 UTC Error while computing 39.27 0.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (8) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (6)
Application: All (8) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (8) · 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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