All tasks for computer 480458



State: All (10) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (4) · Invalid (0) · Error (4)
Application: All (10) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (10) · 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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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
38580972 31545233 12 Dec 2025, 9:30:23 UTC 17 Dec 2025, 9:30:23 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580973 31545250 12 Dec 2025, 9:30:23 UTC 17 Dec 2025, 9:30:23 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580943 31545499 12 Dec 2025, 7:39:21 UTC 17 Dec 2025, 7:39:21 UTC Timed out - no response 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580933 31545242 12 Dec 2025, 6:57:04 UTC 17 Dec 2025, 6:57:04 UTC Timed out - no response 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580917 31545157 12 Dec 2025, 6:16:40 UTC 14 Dec 2025, 18:00:53 UTC Completed and validated 74,775.05 33,617.24 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580918 31545170 12 Dec 2025, 6:16:40 UTC 14 Dec 2025, 19:23:42 UTC Completed and validated 79,747.58 42,033.15 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580914 31545474 12 Dec 2025, 6:01:26 UTC 12 Dec 2025, 14:47:49 UTC Completed and validated 26,244.36 26,089.17 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580816 31544996 11 Dec 2025, 23:16:05 UTC 12 Dec 2025, 0:14:33 UTC Error while computing 71.21 11.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580817 31545435 11 Dec 2025, 23:16:05 UTC 12 Dec 2025, 13:21:59 UTC Completed and validated 47,274.74 47,109.44 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580810 31545011 11 Dec 2025, 23:03:45 UTC 12 Dec 2025, 0:14:33 UTC Error while computing 75.56 20.10 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (10) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (4) · Invalid (0) · Error (4)
Application: All (10) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (10) · 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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