All tasks for computer 642754



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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38584374 31546113 17 Dec 2025, 11:57:26 UTC 17 Dec 2025, 16:10:26 UTC Completed and validated 11,283.45 11,200.94 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582373 31546694 13 Dec 2025, 3:08:24 UTC 13 Dec 2025, 18:41:19 UTC Error while computing 32.32 1.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581837 31546246 12 Dec 2025, 16:03:45 UTC 13 Dec 2025, 18:41:19 UTC Error while computing 45.62 21.37 --- 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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