All tasks for computer 643553



State: All (4) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (1)
Application: All (4) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (4) · 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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38615410 31567711 17 Apr 2026, 17:09:46 UTC 22 Apr 2026, 17:09:46 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38612913 31565469 16 Apr 2026, 13:21:34 UTC 17 Apr 2026, 13:29:46 UTC Error while computing 332.68 2.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38607452 31560942 14 Apr 2026, 10:47:40 UTC 16 Apr 2026, 14:04:44 UTC Completed and validated 42,415.61 38,052.38 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38604581 31558311 12 Apr 2026, 10:27:21 UTC 14 Apr 2026, 10:47:24 UTC Completed and validated 42,716.47 37,662.88 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


State: All (4) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (1)
Application: All (4) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (4) · 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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