All tasks for computer 616787



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 (4) · 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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38596200 31552192 24 Mar 2026, 11:12:32 UTC 24 Mar 2026, 11:17:34 UTC Error while computing 97.33 34.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38596038 31552135 24 Mar 2026, 11:00:09 UTC 24 Mar 2026, 11:12:15 UTC Error while computing 111.25 30.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38596040 31552137 24 Mar 2026, 11:00:09 UTC 24 Mar 2026, 11:12:15 UTC Error while computing 56.78 27.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38596041 31552138 24 Mar 2026, 11:00:09 UTC 24 Mar 2026, 11:12:15 UTC Error while computing 107.06 25.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (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 (4) · 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)
Task name:



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