All tasks for computer 650983



State: All (9) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (7) · Invalid (0) · Error (2)
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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38641473 31588646 2 May 2026, 17:50:51 UTC 2 May 2026, 22:06:07 UTC Aborted 995.19 962.74 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640780 31585912 1 May 2026, 21:57:57 UTC 2 May 2026, 20:52:59 UTC Completed and validated 18,229.41 18,229.41 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640251 31587653 1 May 2026, 10:41:42 UTC 1 May 2026, 15:53:39 UTC Completed and validated 17,864.37 17,752.57 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640252 31587654 1 May 2026, 10:41:42 UTC 1 May 2026, 22:11:47 UTC Completed and validated 22,450.98 22,407.37 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639849 31585342 1 May 2026, 2:27:01 UTC 1 May 2026, 3:29:55 UTC Error while computing 49.42 18.93 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637874 31585792 29 Apr 2026, 21:42:49 UTC 1 May 2026, 2:27:01 UTC Completed and validated 39,641.36 39,641.36 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38636846 31585004 29 Apr 2026, 11:07:59 UTC 30 Apr 2026, 15:36:14 UTC Completed and validated 36,956.67 36,956.67 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38636226 31584505 29 Apr 2026, 1:15:05 UTC 30 Apr 2026, 0:53:50 UTC Completed and validated 17,757.88 17,694.73 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38635890 31584201 28 Apr 2026, 20:07:08 UTC 29 Apr 2026, 8:55:11 UTC Completed and validated 44,503.65 44,503.65 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (9) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (7) · Invalid (0) · Error (2)
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)
Task name:



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