All tasks for computer 639108



State: All (2) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (1)
Application: All (2) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (2) · 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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38582804 31547049 13 Dec 2025, 12:14:01 UTC 18 Dec 2025, 12:14:01 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580023 31545002 11 Dec 2025, 13:40:53 UTC 11 Dec 2025, 14:04:04 UTC Error while computing 68.53 9.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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