All tasks for computer 642312



State: All (4) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (1)
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
(sec)		CreditApplication
38583828 31547515 14 Dec 2025, 18:47:51 UTC 19 Dec 2025, 18:47:51 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582508 31546815 13 Dec 2025, 6:19:40 UTC 14 Dec 2025, 8:34:07 UTC Completed and validated 26,450.37 24,258.77 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582057 31546426 12 Dec 2025, 20:02:26 UTC 14 Dec 2025, 1:12:24 UTC Completed and validated 22,112.84 20,185.14 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580215 31545063 11 Dec 2025, 14:12:41 UTC 11 Dec 2025, 14:17:08 UTC Error while computing 159.52 12.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


State: All (4) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (1)
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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