All tasks for computer 648130



State: All (6) · In progress (3) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (2)
Application: All (6) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (6) · 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
38583984 31547949 15 Dec 2025, 3:02:34 UTC 20 Dec 2025, 3:02:34 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583884 31547635 14 Dec 2025, 21:31:17 UTC 19 Dec 2025, 21:31:17 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583856 31547871 14 Dec 2025, 20:07:23 UTC 19 Dec 2025, 20:07:23 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583852 31545081 14 Dec 2025, 19:49:17 UTC 14 Dec 2025, 20:08:07 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583849 31547237 14 Dec 2025, 19:43:34 UTC 15 Dec 2025, 7:54:44 UTC Aborted 26,318.01 13,949.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583842 31547862 14 Dec 2025, 19:31:09 UTC 15 Dec 2025, 0:40:28 UTC Completed and validated 17,814.70 17,814.70 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (6) · In progress (3) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (2)
Application: All (6) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (6) · 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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