All tasks for computer 643059



State: All (3) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · 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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38582946 31547169 13 Dec 2025, 15:34:11 UTC 14 Dec 2025, 7:36:39 UTC Completed and validated 57,004.76 57,004.76 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582133 31546495 12 Dec 2025, 21:43:32 UTC 13 Dec 2025, 14:34:01 UTC Completed and validated 59,845.49 59,845.49 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580087 31545098 11 Dec 2025, 13:48:44 UTC 11 Dec 2025, 14:22:28 UTC Error while computing 458.94 31.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (3) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · 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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