All tasks for computer 611177



State: All (8) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (8)
Application: All (8) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (0) · 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 (8)
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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
33788167 27678558 2 Feb 2024, 12:01:10 UTC 2 Feb 2024, 12:26:24 UTC Error while computing 1,386.17 1,363.26 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800302 27678236 2 Feb 2024, 11:38:12 UTC 2 Feb 2024, 11:58:08 UTC Error while computing 1,071.05 1,039.80 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800185 27678197 2 Feb 2024, 11:04:21 UTC 2 Feb 2024, 11:24:22 UTC Error while computing 1,092.38 1,062.38 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800078 27678318 2 Feb 2024, 11:01:12 UTC 2 Feb 2024, 11:04:21 UTC Error while computing 108.27 70.17 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33799975 27678066 2 Feb 2024, 10:39:24 UTC 2 Feb 2024, 10:49:43 UTC Error while computing 495.36 461.15 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33799731 27678203 2 Feb 2024, 10:08:26 UTC 2 Feb 2024, 10:39:24 UTC Error while computing 1,768.29 1,750.36 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33799682 27678238 2 Feb 2024, 9:58:07 UTC 2 Feb 2024, 10:08:26 UTC Error while computing 525.57 491.26 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33787817 27678270 2 Feb 2024, 9:39:56 UTC 2 Feb 2024, 9:58:07 UTC Error while computing 962.84 932.40 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


State: All (8) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (8)
Application: All (8) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (0) · 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 (8)
Task name:



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