All tasks for computer 647800



State: All (7) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (2)
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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Show names		Work unit
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(sec)		CPU time
(sec)		CreditApplication
38583864 31547878 14 Dec 2025, 20:27:57 UTC 19 Dec 2025, 20:27:57 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583859 31547873 14 Dec 2025, 20:13:00 UTC 19 Dec 2025, 20:13:00 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582905 31545251 13 Dec 2025, 14:30:44 UTC 13 Dec 2025, 15:15:16 UTC Aborted 2,289.93 1,371.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581669 31546125 12 Dec 2025, 12:37:14 UTC 12 Dec 2025, 21:14:50 UTC Completed and validated 31,056.00 31,109.16 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581649 31546114 12 Dec 2025, 11:58:13 UTC 12 Dec 2025, 20:02:04 UTC Completed and validated 28,846.48 28,846.48 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581639 31546110 12 Dec 2025, 11:42:28 UTC 12 Dec 2025, 20:02:04 UTC Completed and validated 28,840.62 28,840.62 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581633 31545964 12 Dec 2025, 11:34:13 UTC 12 Dec 2025, 12:01:58 UTC Error while computing 44.59 0.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (7) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (2)
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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