All tasks for computer 601928



State: All (5) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (5)
Application: All (5) · ACEMD 3: molecular dynamics simulations for GPUs (1) · 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 (4)
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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
36984725 30247136 6 Dec 2024, 5:45:24 UTC 6 Dec 2024, 17:52:43 UTC Error while computing 42.06 0.00 --- ACEMD 3: molecular dynamics simulations for GPUs v2.32 (cuda1121)
x86_64-pc-linux-gnu
36728327 30043483 29 Nov 2024, 15:48:45 UTC 29 Nov 2024, 17:35:45 UTC Error while computing 86.61 29.55 --- Quantum chemistry calculations on GPU v1.05 (cuda1121)
x86_64-pc-linux-gnu
36841800 30023880 26 Nov 2024, 17:28:22 UTC 26 Nov 2024, 17:31:58 UTC Error while computing 81.30 29.24 --- Quantum chemistry calculations on GPU v1.05 (cuda1121)
x86_64-pc-linux-gnu
33731992 27644444 12 Jan 2024, 14:41:05 UTC 12 Jan 2024, 15:01:13 UTC Error while computing 497.93 446.55 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33731910 27644363 12 Jan 2024, 14:02:30 UTC 12 Jan 2024, 14:51:44 UTC Error while computing 518.11 449.66 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


State: All (5) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (5)
Application: All (5) · ACEMD 3: molecular dynamics simulations for GPUs (1) · 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 (4)
Task name:



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