All tasks for computer 649816



State: All (6) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (3)
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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38603664 31557898 11 Apr 2026, 0:07:53 UTC 16 Apr 2026, 0:07:53 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38602277 31553378 9 Apr 2026, 23:38:39 UTC 9 Apr 2026, 23:40:32 UTC Error while computing 29.23 0.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38601376 31554723 9 Apr 2026, 13:00:24 UTC 9 Apr 2026, 16:18:52 UTC Completed and validated 11,566.99 11,566.99 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38599610 31554487 8 Apr 2026, 19:23:32 UTC 8 Apr 2026, 21:07:49 UTC Error while computing 62.29 11.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38596405 31552373 7 Apr 2026, 20:25:10 UTC 7 Apr 2026, 20:50:00 UTC Error while computing 1,372.93 1,342.21 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38596273 31552258 7 Apr 2026, 12:33:35 UTC 7 Apr 2026, 20:24:54 UTC Completed and validated 11,081.70 11,081.70 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (6) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (3)
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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