All tasks for computer 582493



State: All (8) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (8)
Application: All (8) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (0) · 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 (6)
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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
33786293 27676984 1 Feb 2024, 23:40:08 UTC 2 Feb 2024, 0:25:11 UTC Error while computing 114.33 58.95 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33785777 27676543 1 Feb 2024, 20:49:37 UTC 1 Feb 2024, 21:22:45 UTC Error while computing 125.16 49.97 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33785043 27675895 1 Feb 2024, 17:17:46 UTC 1 Feb 2024, 17:45:33 UTC Error while computing 141.41 92.27 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33732724 27644270 12 Jan 2024, 15:04:00 UTC 12 Jan 2024, 15:05:49 UTC Error while computing 45.15 0.20 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33732745 27644288 12 Jan 2024, 15:00:20 UTC 12 Jan 2024, 15:04:00 UTC Error while computing 91.79 51.76 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33732727 27644343 12 Jan 2024, 14:56:37 UTC 12 Jan 2024, 15:05:49 UTC Error while computing 200.05 162.21 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33271280 27386453 29 Jan 2023, 11:47:48 UTC 29 Jan 2023, 14:56:04 UTC Aborted 142,310.70 142,310.70 --- Python apps for GPU hosts v4.03 (cuda1131)
x86_64-pc-linux-gnu
33270590 27386930 28 Jan 2023, 4:10:26 UTC 28 Jan 2023, 12:37:28 UTC Aborted 562,494.60 562,494.60 --- Python apps for GPU hosts v4.03 (cuda1131)
x86_64-pc-linux-gnu


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



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