All tasks for computer 640487



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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38583897 31545146 14 Dec 2025, 22:15:55 UTC 19 Dec 2025, 22:15:55 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583649 31547515 14 Dec 2025, 11:58:54 UTC 14 Dec 2025, 18:47:44 UTC Aborted 43.16 12.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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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