All tasks for computer 642610



State: All (3) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (2)
Application: All (3) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (3) · 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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(sec)		CPU time
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38582493 31546801 13 Dec 2025, 6:05:22 UTC 13 Dec 2025, 13:21:49 UTC Completed and validated 26,077.91 26,077.91 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581803 31545962 12 Dec 2025, 15:29:27 UTC 12 Dec 2025, 15:42:17 UTC Error while computing 46.42 2.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580096 31545048 11 Dec 2025, 13:50:06 UTC 11 Dec 2025, 14:31:02 UTC Error while computing 59.37 12.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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