All tasks for computer 616491



State: All (3) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (1)
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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38583727 31547792 14 Dec 2025, 14:44:09 UTC 19 Dec 2025, 14:44:09 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583154 31545009 13 Dec 2025, 20:53:09 UTC 14 Dec 2025, 2:42:34 UTC Error while computing 162.56 25.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582644 31546925 13 Dec 2025, 8:51:06 UTC 14 Dec 2025, 2:38:23 UTC Completed and validated 22,759.97 22,759.97 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


State: All (3) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (1)
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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