All tasks for computer 616898



State: All (5) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (5)
Application: All (5) · 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 (5)
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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
33800926 27678164 2 Feb 2024, 12:18:40 UTC 2 Feb 2024, 13:15:25 UTC Error while computing 3,322.56 3,304.56 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800055 27678262 2 Feb 2024, 10:56:18 UTC 2 Feb 2024, 11:29:48 UTC Error while computing 1,928.52 1,903.65 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800028 27678376 2 Feb 2024, 10:52:15 UTC 2 Feb 2024, 10:56:18 UTC Error while computing 114.57 70.35 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33787980 27678399 2 Feb 2024, 10:48:40 UTC 2 Feb 2024, 10:52:15 UTC Error while computing 131.85 90.25 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33798228 27677858 2 Feb 2024, 6:36:53 UTC 2 Feb 2024, 6:53:51 UTC Error while computing 910.17 872.04 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


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



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