All tasks for computer 621366



State: All (20) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (16) · Invalid (0) · Error (2)
Application: All (20) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (20) · 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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38630312 31579613 25 Apr 2026, 12:04:40 UTC 30 Apr 2026, 12:04:40 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38630167 31579502 25 Apr 2026, 10:58:24 UTC 30 Apr 2026, 10:58:24 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38630166 31579501 25 Apr 2026, 10:58:08 UTC 25 Apr 2026, 15:01:48 UTC Error while computing 791.30 791.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38630036 31579401 25 Apr 2026, 9:50:35 UTC 25 Apr 2026, 15:16:34 UTC Completed and validated 10,725.98 10,725.98 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38629929 31579315 25 Apr 2026, 8:59:56 UTC 25 Apr 2026, 12:04:23 UTC Completed and validated 4,064.00 4,064.00 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628010 31577740 24 Apr 2026, 15:07:04 UTC 25 Apr 2026, 10:58:08 UTC Completed and validated 4,175.25 4,175.25 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627858 31577395 24 Apr 2026, 13:48:00 UTC 25 Apr 2026, 9:55:03 UTC Error while computing 212.91 212.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627635 31577525 24 Apr 2026, 12:41:09 UTC 25 Apr 2026, 9:50:35 UTC Completed and validated 4,163.48 4,163.48 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38626615 31576708 24 Apr 2026, 9:28:34 UTC 24 Apr 2026, 12:41:09 UTC Completed and validated 4,338.06 4,338.06 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38626672 31576757 24 Apr 2026, 9:28:34 UTC 24 Apr 2026, 14:53:18 UTC Completed and validated 4,213.04 4,213.04 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38626680 31576764 24 Apr 2026, 9:28:34 UTC 24 Apr 2026, 13:47:44 UTC Completed and validated 4,297.49 4,297.49 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38626686 31576770 24 Apr 2026, 9:28:34 UTC 25 Apr 2026, 8:59:40 UTC Completed and validated 1,026.95 1,026.95 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38625707 31575864 23 Apr 2026, 22:58:46 UTC 24 Apr 2026, 0:08:39 UTC Completed and validated 4,193.00 4,492.01 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38625356 31575590 23 Apr 2026, 15:01:07 UTC 23 Apr 2026, 17:00:01 UTC Completed and validated 7,134.00 7,595.87 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38624128 31574623 22 Apr 2026, 12:39:52 UTC 23 Apr 2026, 10:31:20 UTC Completed and validated 8,086.16 8,086.16 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38623368 31567600 21 Apr 2026, 11:21:11 UTC 21 Apr 2026, 13:09:14 UTC Completed and validated 6,483.00 6,994.21 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38616917 31568673 18 Apr 2026, 0:06:50 UTC 21 Apr 2026, 11:16:22 UTC Completed and validated 4,065.10 4,065.10 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38616615 31568428 17 Apr 2026, 21:42:54 UTC 21 Apr 2026, 10:12:53 UTC Completed and validated 4,024.09 4,024.09 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38616302 31567314 17 Apr 2026, 19:39:03 UTC 20 Apr 2026, 13:04:55 UTC Completed and validated 7,661.47 7,661.47 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38616024 31568107 17 Apr 2026, 18:10:51 UTC 20 Apr 2026, 10:52:15 UTC Completed and validated 5,316.97 5,316.97 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (20) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (16) · Invalid (0) · Error (2)
Application: All (20) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (20) · 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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