All tasks for computer 624511



State: All (14) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (14)
Application: All (14) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (14) · 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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(sec)		CPU time
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38638838 31586547 30 Apr 2026, 11:17:48 UTC 30 Apr 2026, 11:24:37 UTC Error while computing 268.28 103.24 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637987 31585876 29 Apr 2026, 23:22:06 UTC 29 Apr 2026, 23:28:00 UTC Error while computing 205.57 73.43 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637976 31585874 29 Apr 2026, 23:15:27 UTC 29 Apr 2026, 23:21:50 UTC Error while computing 279.72 114.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637969 31585286 29 Apr 2026, 23:11:51 UTC 29 Apr 2026, 23:15:27 UTC Error while computing 107.11 44.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637894 31585810 29 Apr 2026, 22:03:55 UTC 29 Apr 2026, 22:09:31 UTC Error while computing 218.59 85.15 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637771 31585709 29 Apr 2026, 20:34:19 UTC 29 Apr 2026, 20:39:58 UTC Error while computing 201.24 74.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38636158 31584450 29 Apr 2026, 0:17:29 UTC 29 Apr 2026, 0:22:47 UTC Error while computing 231.13 91.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38635904 31584249 28 Apr 2026, 20:16:33 UTC 28 Apr 2026, 20:20:10 UTC Error while computing 136.08 43.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38635851 31584073 28 Apr 2026, 19:29:48 UTC 28 Apr 2026, 19:35:34 UTC Error while computing 206.44 70.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38635591 31584000 28 Apr 2026, 14:47:04 UTC 28 Apr 2026, 14:51:10 UTC Error while computing 140.91 41.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38635424 31583880 28 Apr 2026, 13:13:28 UTC 28 Apr 2026, 13:17:37 UTC Error while computing 133.09 70.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38635165 31583640 28 Apr 2026, 13:05:52 UTC 28 Apr 2026, 13:09:28 UTC Error while computing 100.34 37.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38634963 31583439 28 Apr 2026, 13:02:55 UTC 28 Apr 2026, 13:05:52 UTC Error while computing 103.03 37.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38634911 31583387 28 Apr 2026, 12:48:27 UTC 28 Apr 2026, 12:56:20 UTC Error while computing 107.79 47.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (14) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (14)
Application: All (14) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (14) · 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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