All tasks for computer 599503



State: All (3) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (1)
Application: All (3) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (3) · 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
(sec)		CreditApplication
38612929 31565485 16 Apr 2026, 13:38:44 UTC 21 Apr 2026, 13:38:44 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38609079 31562217 14 Apr 2026, 20:48:12 UTC 15 Apr 2026, 14:29:09 UTC Error while computing 74.61 12.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38605935 31559747 14 Apr 2026, 7:36:31 UTC 14 Apr 2026, 19:50:42 UTC Completed and validated 44,051.00 44,666.82 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (3) · In progress (1) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (1)
Application: All (3) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (3) · 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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