All tasks for computer 641904



State: All (7) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (6) · Invalid (0) · Error (1)
Application: All (7) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (7) · 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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38583367 31545009 14 Dec 2025, 2:42:41 UTC 14 Dec 2025, 2:48:00 UTC Error while computing 83.12 26.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582623 31546910 13 Dec 2025, 8:31:23 UTC 13 Dec 2025, 23:44:03 UTC Completed and validated 13,299.03 13,299.03 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582256 31546592 13 Dec 2025, 0:19:21 UTC 13 Dec 2025, 20:54:24 UTC Completed and validated 28,204.49 28,204.49 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581096 31545622 12 Dec 2025, 10:34:16 UTC 14 Dec 2025, 6:20:28 UTC Completed and validated 28,743.71 28,743.71 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581090 31545616 12 Dec 2025, 10:33:56 UTC 13 Dec 2025, 0:19:02 UTC Completed and validated 25,292.10 25,292.10 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581091 31545617 12 Dec 2025, 10:33:56 UTC 13 Dec 2025, 8:31:23 UTC Completed and validated 25,024.42 25,024.42 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581092 31545618 12 Dec 2025, 10:33:56 UTC 12 Dec 2025, 17:31:54 UTC Completed and validated 25,078.00 28,602.62 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (7) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (6) · Invalid (0) · Error (1)
Application: All (7) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (7) · 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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