All tasks for computer 638700



State: All (11) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (9) · Invalid (0) · Error (0)
Application: All (11) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (11) · 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
38583490 31545236 14 Dec 2025, 6:55:10 UTC 19 Dec 2025, 6:55:10 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583491 31547378 14 Dec 2025, 6:55:10 UTC 19 Dec 2025, 6:55:10 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583063 31547266 13 Dec 2025, 18:30:31 UTC 13 Dec 2025, 22:46:59 UTC Completed and validated 15,111.78 14,700.38 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582615 31546904 13 Dec 2025, 8:19:06 UTC 13 Dec 2025, 16:45:49 UTC Completed and validated 15,266.31 14,885.65 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582281 31546615 13 Dec 2025, 0:50:06 UTC 13 Dec 2025, 8:18:49 UTC Completed and validated 14,981.56 14,634.19 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582282 31546616 13 Dec 2025, 0:50:06 UTC 13 Dec 2025, 10:20:21 UTC Completed and validated 7,469.91 7,354.60 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582283 31546617 13 Dec 2025, 0:50:06 UTC 13 Dec 2025, 12:28:09 UTC Completed and validated 7,663.93 7,557.36 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581283 31545809 12 Dec 2025, 10:42:31 UTC 13 Dec 2025, 4:09:13 UTC Completed and validated 15,578.27 15,007.43 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581284 31545810 12 Dec 2025, 10:42:31 UTC 12 Dec 2025, 23:49:11 UTC Completed and validated 15,183.54 14,511.19 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581285 31545811 12 Dec 2025, 10:42:31 UTC 12 Dec 2025, 15:11:28 UTC Completed and validated 15,782.62 14,302.66 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581286 31545812 12 Dec 2025, 10:42:31 UTC 12 Dec 2025, 19:36:04 UTC Completed and validated 15,861.62 14,234.71 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (11) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (9) · Invalid (0) · Error (0)
Application: All (11) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (11) · 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)
Task name:



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