All tasks for computer 647888



State: All (3) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (2)
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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38583628 31547403 14 Dec 2025, 11:08:33 UTC 14 Dec 2025, 17:25:49 UTC Completed and validated 6,598.05 6,598.05 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581515 31546035 12 Dec 2025, 10:51:08 UTC 12 Dec 2025, 14:54:50 UTC Error while computing 31.21 0.74 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581495 31546016 12 Dec 2025, 10:51:08 UTC 12 Dec 2025, 14:54:50 UTC Error while computing 17.79 0.55 --- 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 (1) · Invalid (0) · Error (2)
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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