All tasks for computer 549309



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 (2) · 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 (2)
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(sec)		CPU time
(sec)		CreditApplication
38582120 31546483 12 Dec 2025, 21:23:33 UTC 13 Dec 2025, 2:29:21 UTC Completed and validated 17,785.70 17,785.70 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580146 31545026 11 Dec 2025, 13:59:19 UTC 11 Dec 2025, 14:53:14 UTC Error while computing 71.33 18.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
33784814 27674762 1 Feb 2024, 13:52:16 UTC 1 Feb 2024, 14:11:47 UTC Error while computing 1,046.11 1,046.11 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33765807 27664263 31 Jan 2024, 13:33:51 UTC 31 Jan 2024, 20:21:27 UTC Aborted 506.98 449.59 --- 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 (1) · Invalid (0) · Error (3)
Application: All (4) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (2) · 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 (2)
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