All tasks for computer 557889



State: All (10) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (7) · Invalid (0) · Error (1)
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
38583930 31547920 14 Dec 2025, 23:22:19 UTC 19 Dec 2025, 23:22:19 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583293 31547450 14 Dec 2025, 0:48:45 UTC 19 Dec 2025, 0:48:45 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583294 31547451 14 Dec 2025, 0:48:45 UTC 14 Dec 2025, 21:54:12 UTC Completed and validated 21,241.63 20,983.99 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583288 31547446 14 Dec 2025, 0:36:54 UTC 14 Dec 2025, 19:14:57 UTC Completed and validated 54,050.06 53,745.42 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583279 31547439 14 Dec 2025, 0:19:37 UTC 14 Dec 2025, 16:03:18 UTC Completed and validated 54,618.31 54,327.93 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581303 31545829 12 Dec 2025, 10:44:24 UTC 13 Dec 2025, 0:53:14 UTC Error while computing 39.92 0.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581295 31545821 12 Dec 2025, 10:44:09 UTC 13 Dec 2025, 0:51:07 UTC Completed and validated 21,500.25 21,252.87 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581296 31545822 12 Dec 2025, 10:44:09 UTC 12 Dec 2025, 18:52:50 UTC Completed and validated 21,554.35 21,332.14 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580827 31545441 11 Dec 2025, 23:46:28 UTC 12 Dec 2025, 12:55:39 UTC Completed and validated 45,259.50 45,134.08 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580826 31545222 11 Dec 2025, 23:45:14 UTC 14 Dec 2025, 4:12:07 UTC Completed and validated 14,016.17 7,120.57 750,000.00 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 (7) · Invalid (0) · Error (1)
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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