All tasks for computer 530539



State: All (4) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (4)
Application: All (4) · 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 (1)
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(sec)		CPU time
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38643152 31589764 7 May 2026, 10:50:11 UTC 7 May 2026, 14:31:47 UTC Error while computing 13,079.84 11,540.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643159 31589771 7 May 2026, 10:50:11 UTC 7 May 2026, 14:49:35 UTC Error while computing 1,061.93 913.15 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643160 31589772 7 May 2026, 10:50:11 UTC 7 May 2026, 16:41:48 UTC Error while computing 6,738.64 5,925.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
33793309 27675367 1 Feb 2024, 18:04:44 UTC 1 Feb 2024, 18:20:56 UTC Error while computing 882.21 751.54 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


State: All (4) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (4)
Application: All (4) · 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 (1)
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