All tasks for computer 633196



State: All (2) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · 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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38643577 31589744 7 May 2026, 15:48:40 UTC 7 May 2026, 17:33:43 UTC Error while computing 5,476.92 5,476.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38642620 31589306 6 May 2026, 17:10:43 UTC 7 May 2026, 3:49:10 UTC Completed and validated 36,789.15 36,789.15 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (2) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · 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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