All tasks for computer 638919



State: All (6) · In progress (3) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (2)
Application: All (6) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (6) · 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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(sec)		CPU time
(sec)		CreditApplication
38627241 31577246 24 Apr 2026, 11:39:04 UTC 25 Apr 2026, 14:33:59 UTC Error while computing 1,779.03 1,762.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627231 31577236 24 Apr 2026, 11:36:38 UTC 24 Apr 2026, 11:41:38 UTC Error while computing 120.28 96.21 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627117 31577143 24 Apr 2026, 10:57:21 UTC 29 Apr 2026, 10:57:21 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38626934 31576976 24 Apr 2026, 10:54:00 UTC 29 Apr 2026, 10:54:00 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627078 31577118 24 Apr 2026, 10:53:36 UTC 29 Apr 2026, 10:53:36 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38623356 31573982 21 Apr 2026, 11:12:23 UTC 22 Apr 2026, 10:43:15 UTC Completed and validated 1,786.62 1,786.62 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (6) · In progress (3) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (2)
Application: All (6) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (6) · 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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