All tasks for computer 652241



State: All (8) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (7)
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
38631656 31580704 26 Apr 2026, 1:38:27 UTC 1 May 2026, 1:38:27 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38631544 31580612 26 Apr 2026, 0:16:51 UTC 26 Apr 2026, 1:15:21 UTC Error while computing 42.35 0.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38629202 31578161 25 Apr 2026, 1:52:11 UTC 25 Apr 2026, 21:46:22 UTC Error while computing 184.99 42.29 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38629065 31578614 25 Apr 2026, 0:52:04 UTC 25 Apr 2026, 6:16:13 UTC Error while computing 42.58 0.54 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628383 31578036 24 Apr 2026, 18:15:39 UTC 24 Apr 2026, 18:32:26 UTC Error while computing 147.93 2.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628294 31577962 24 Apr 2026, 17:31:31 UTC 24 Apr 2026, 18:15:39 UTC Error while computing 204.90 63.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628280 31577234 24 Apr 2026, 17:26:33 UTC 24 Apr 2026, 17:31:13 UTC Error while computing 182.64 170.04 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38626654 31576739 24 Apr 2026, 9:25:39 UTC 24 Apr 2026, 17:26:15 UTC Error while computing 37.33 0.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (8) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (7)
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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