All tasks for computer 654870



State: All (12) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (10) · Invalid (0) · Error (1)
Application: All (12) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (12) · 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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38666514 31609004 25 Oct 2026, 4:48:50 UTC 30 Oct 2026, 4:48:50 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38665279 31608387 25 Oct 2026, 1:02:43 UTC 25 Oct 2026, 4:48:49 UTC Error while computing 13,566.00 13,988.49 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38664004 31607186 24 Oct 2026, 23:02:52 UTC 25 Oct 2026, 1:02:42 UTC Completed and validated 1,863.28 1,838.59 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38661730 31605119 24 Oct 2026, 17:48:50 UTC 24 Oct 2026, 21:07:58 UTC Completed and validated 1,861.04 1,848.91 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38660783 31602592 24 Oct 2026, 17:24:50 UTC 24 Oct 2026, 21:07:58 UTC Completed and validated 1,522.78 1,522.78 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38659928 31603460 24 Oct 2026, 16:49:07 UTC 24 Oct 2026, 21:07:58 UTC Completed and validated 1,529.81 1,529.81 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38661029 31604481 24 Oct 2026, 15:49:02 UTC 24 Oct 2026, 21:07:58 UTC Completed and validated 1,863.82 1,844.61 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38659224 31602776 24 Oct 2026, 14:52:19 UTC 24 Oct 2026, 15:49:02 UTC Completed and validated 1,524.26 1,524.26 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38659990 31601672 24 Oct 2026, 13:52:20 UTC 24 Oct 2026, 14:52:18 UTC Completed and validated 1,691.32 1,689.27 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38658348 31601934 24 Oct 2026, 13:24:57 UTC 24 Oct 2026, 13:52:20 UTC Completed and validated 1,527.53 1,527.53 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38658122 31601725 24 Oct 2026, 12:24:48 UTC 24 Oct 2026, 13:27:10 UTC Completed and validated 1,839.49 1,833.07 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38652924 31596985 24 Oct 2026, 4:52:32 UTC 24 Oct 2026, 12:24:47 UTC Completed and validated 1,821.33 1,821.33 60,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (12) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (10) · Invalid (0) · Error (1)
Application: All (12) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (12) · 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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