All tasks for computer 624938



State: All (6) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (5) · Invalid (0) · Error (1)
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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38640881 31588165 2 May 2026, 0:31:36 UTC 2 May 2026, 11:38:06 UTC Completed and validated 36,395.95 36,395.95 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640614 31587943 1 May 2026, 17:41:43 UTC 2 May 2026, 0:31:36 UTC Completed and validated 24,255.68 24,255.68 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639963 31587426 1 May 2026, 4:40:44 UTC 1 May 2026, 18:45:11 UTC Completed and validated 50,667.00 54,848.17 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637795 31585730 29 Apr 2026, 20:57:55 UTC 30 Apr 2026, 23:26:16 UTC Error while computing 98.73 26.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637796 31585731 29 Apr 2026, 20:57:55 UTC 30 Apr 2026, 12:44:53 UTC Completed and validated 56,818.00 59,920.58 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38635660 31584060 28 Apr 2026, 16:25:35 UTC 29 Apr 2026, 2:45:14 UTC Completed and validated 35,368.95 35,368.95 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (6) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (5) · Invalid (0) · Error (1)
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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