All tasks for computer 549656



State: All (7) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (5)
Application: All (7) · 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 (1)
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38623402 31574020 21 Apr 2026, 12:06:39 UTC 22 Apr 2026, 23:07:24 UTC Error while computing 72.51 22.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38622783 31573492 20 Apr 2026, 23:23:20 UTC 21 Apr 2026, 7:06:19 UTC Completed and validated 27,779.00 28,892.52 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38620341 31571569 19 Apr 2026, 7:53:17 UTC 19 Apr 2026, 23:02:41 UTC Error while computing 42.29 0.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38619926 31571219 19 Apr 2026, 3:15:24 UTC 19 Apr 2026, 6:53:15 UTC Error while computing 41.52 0.46 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38616992 31568737 18 Apr 2026, 0:44:46 UTC 18 Apr 2026, 8:04:36 UTC Completed and validated 26,390.00 27,416.98 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38610019 31562991 15 Apr 2026, 5:30:22 UTC 15 Apr 2026, 23:02:04 UTC Error while computing 48.39 12.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
33800135 27678310 2 Feb 2024, 11:14:00 UTC 2 Feb 2024, 11:16:22 UTC Error while computing 38.21 10.44 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


State: All (7) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (5)
Application: All (7) · 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 (1)
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