All tasks for computer 565402



State: All (4) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (3)
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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38596217 31552150 24 Mar 2026, 11:14:17 UTC 24 Mar 2026, 11:21:40 UTC Error while computing 64.90 27.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38596218 31552179 24 Mar 2026, 11:14:17 UTC 24 Mar 2026, 11:21:40 UTC Error while computing 73.52 29.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38596219 31552165 24 Mar 2026, 11:14:17 UTC 24 Mar 2026, 11:21:40 UTC Error while computing 74.07 30.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
36841321 30023902 26 Nov 2024, 16:50:11 UTC 26 Nov 2024, 18:57:11 UTC Completed and validated 1,113.97 1,015.32 150,000.00 Quantum chemistry calculations on GPU v1.05 (cuda1121)
x86_64-pc-linux-gnu


State: All (4) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (3)
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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