All tasks for computer 619022



State: All (9) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (6) · Invalid (0) · Error (1)
Application: All (9) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (9) · 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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38583962 31547944 15 Dec 2025, 0:32:22 UTC 20 Dec 2025, 0:32:22 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583881 31547891 14 Dec 2025, 21:22:53 UTC 19 Dec 2025, 21:22:53 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583656 31547735 14 Dec 2025, 12:09:19 UTC 14 Dec 2025, 22:22:44 UTC Completed and validated 35,875.17 35,362.14 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583646 31545074 14 Dec 2025, 11:57:08 UTC 14 Dec 2025, 12:09:19 UTC Error while computing 102.11 9.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583544 31547646 14 Dec 2025, 8:18:39 UTC 14 Dec 2025, 20:27:54 UTC Completed and validated 43,389.88 42,781.31 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583444 31547577 14 Dec 2025, 5:22:54 UTC 14 Dec 2025, 17:20:31 UTC Completed and validated 42,472.75 40,712.09 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583388 31547526 14 Dec 2025, 3:32:27 UTC 14 Dec 2025, 10:04:58 UTC Completed and validated 23,318.53 21,831.63 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582885 31547119 13 Dec 2025, 14:07:36 UTC 14 Dec 2025, 3:26:58 UTC Completed and validated 45,501.07 43,271.80 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582883 31547117 13 Dec 2025, 13:55:33 UTC 13 Dec 2025, 21:37:58 UTC Completed and validated 24,899.28 23,704.86 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


State: All (9) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (6) · Invalid (0) · Error (1)
Application: All (9) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (9) · 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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