All tasks for computer 601014



State: All (15) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (8) · Invalid (0) · Error (5)
Application: All (15) · 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 (1)
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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
38583684 31547757 14 Dec 2025, 13:00:29 UTC 19 Dec 2025, 13:00:29 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583681 31546406 14 Dec 2025, 12:56:26 UTC 19 Dec 2025, 12:56:26 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583335 31547481 14 Dec 2025, 1:50:31 UTC 14 Dec 2025, 9:33:07 UTC Completed and validated 27,715.40 27,432.94 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583331 31547477 14 Dec 2025, 1:42:29 UTC 14 Dec 2025, 12:38:30 UTC Completed and validated 39,175.83 39,097.22 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583048 31547252 13 Dec 2025, 18:02:29 UTC 13 Dec 2025, 23:17:19 UTC Completed and validated 15,102.17 14,849.36 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583001 31547213 13 Dec 2025, 16:58:29 UTC 13 Dec 2025, 21:14:29 UTC Completed and validated 15,247.61 14,941.24 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582488 31546796 13 Dec 2025, 6:00:26 UTC 13 Dec 2025, 16:30:04 UTC Error while computing 93.73 33.18 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582471 31546383 13 Dec 2025, 5:32:27 UTC 13 Dec 2025, 16:28:54 UTC Completed and validated 39,237.40 39,071.16 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582189 31546541 12 Dec 2025, 23:00:32 UTC 13 Dec 2025, 5:20:31 UTC Completed and validated 22,763.44 22,493.43 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582150 31546398 12 Dec 2025, 22:14:28 UTC 13 Dec 2025, 4:26:04 UTC Error while computing 22,192.65 22,130.01 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581874 31546277 12 Dec 2025, 16:42:29 UTC 12 Dec 2025, 22:07:18 UTC Completed and validated 19,489.00 19,515.75 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581860 31546264 12 Dec 2025, 16:30:27 UTC 12 Dec 2025, 21:54:39 UTC Completed and validated 19,441.40 19,441.40 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580931 31545495 12 Dec 2025, 6:52:29 UTC 12 Dec 2025, 16:02:05 UTC Error while computing 50.39 12.29 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580880 31545012 12 Dec 2025, 4:18:27 UTC 12 Dec 2025, 4:21:59 UTC Error while computing 38.31 4.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
33794963 27676588 1 Feb 2024, 22:10:37 UTC 1 Feb 2024, 23:16:04 UTC Error while computing 3,854.56 3,848.35 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


State: All (15) · In progress (2) · Validation pending (0) · Validation inconclusive (0) · Valid (8) · Invalid (0) · Error (5)
Application: All (15) · 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 (1)
Task name:



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