All tasks for computer 546970



State: All (11) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (4) · Invalid (0) · Error (7)
Application: All (11) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (5) · 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 (6)
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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
38583790 31547828 14 Dec 2025, 17:10:58 UTC 17 Dec 2025, 18:13:45 UTC Completed and validated 32,616.10 29,979.30 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583009 31547220 13 Dec 2025, 17:08:46 UTC 14 Dec 2025, 3:09:29 UTC Completed and validated 33,729.00 31,981.05 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582413 31546389 13 Dec 2025, 4:06:19 UTC 13 Dec 2025, 12:08:19 UTC Completed and validated 27,877.45 24,899.23 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581703 31546151 12 Dec 2025, 13:32:44 UTC 12 Dec 2025, 18:05:19 UTC Completed and validated 15,004.47 12,372.35 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580136 31545099 11 Dec 2025, 13:57:01 UTC 11 Dec 2025, 14:32:02 UTC Error while computing 109.54 20.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
33801026 27678203 2 Feb 2024, 12:22:25 UTC 2 Feb 2024, 13:14:42 UTC Error while computing 3,036.16 2,951.23 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33788181 27678569 2 Feb 2024, 12:09:49 UTC 2 Feb 2024, 12:17:42 UTC Error while computing 387.19 328.11 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33788165 27678556 2 Feb 2024, 12:01:40 UTC 2 Feb 2024, 12:09:49 UTC Error while computing 382.25 306.36 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800438 27678480 2 Feb 2024, 11:44:37 UTC 2 Feb 2024, 11:49:35 UTC Error while computing 181.45 102.01 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33796208 27676984 2 Feb 2024, 1:05:37 UTC 2 Feb 2024, 11:44:37 UTC Error while computing 232.23 169.91 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33778746 27668390 1 Feb 2024, 2:12:44 UTC 1 Feb 2024, 2:17:27 UTC Error while computing 186.79 129.25 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


State: All (11) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (4) · Invalid (0) · Error (7)
Application: All (11) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (5) · 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 (6)
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