All tasks for computer 616787



State: All (9) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (5) · Invalid (0) · Error (3)
Application: All (9) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (9) · 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
click for details		SentTime reported
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
38584966 31548435 18 Dec 2025, 9:43:01 UTC 23 Dec 2025, 9:43:01 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584836 31548338 18 Dec 2025, 3:14:53 UTC 18 Dec 2025, 4:57:26 UTC Completed and validated 6,153.00 6,265.92 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38584712 31548242 17 Dec 2025, 22:00:06 UTC 18 Dec 2025, 2:16:24 UTC Completed and validated 15,378.00 15,692.96 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583875 31547768 14 Dec 2025, 21:02:26 UTC 17 Dec 2025, 21:28:37 UTC Completed and validated 17,411.88 17,411.88 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583566 31547665 14 Dec 2025, 9:14:06 UTC 14 Dec 2025, 11:11:33 UTC Completed and validated 7,002.82 7,002.82 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582467 31546777 13 Dec 2025, 5:28:02 UTC 13 Dec 2025, 14:16:01 UTC Completed and validated 31,679.00 31,761.83 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580676 31545139 11 Dec 2025, 16:28:04 UTC 13 Dec 2025, 4:58:24 UTC Aborted 13,616.64 7,307.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580157 31545021 11 Dec 2025, 14:01:00 UTC 11 Dec 2025, 14:05:11 UTC Error while computing 79.01 15.93 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579692 31545039 11 Dec 2025, 13:15:42 UTC 11 Dec 2025, 13:22:08 UTC Error while computing 76.32 18.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (9) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (5) · Invalid (0) · Error (3)
Application: All (9) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (9) · 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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