All tasks for computer 616409



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 (0) · 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 (4)
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(sec)		CPU time
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33800760 27678484 2 Feb 2024, 12:00:32 UTC 2 Feb 2024, 12:35:57 UTC Error while computing 589.67 544.58 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800702 27678412 2 Feb 2024, 11:59:54 UTC 2 Feb 2024, 12:35:57 UTC Error while computing 1,763.13 1,733.40 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800162 27678434 2 Feb 2024, 11:13:07 UTC 2 Feb 2024, 12:35:57 UTC Error while computing 4,570.64 4,549.88 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33767094 27665448 31 Jan 2024, 18:03:57 UTC 31 Jan 2024, 18:16:22 UTC Error while computing 634.39 578.07 --- 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 (0) · 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 (4)
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