All tasks for computer 623034



State: All (5) · In progress (3) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (1)
Application: All (5) · 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 (0)
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38601363 31555944 9 Apr 2026, 12:55:21 UTC 14 Apr 2026, 12:55:21 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598746 31553811 8 Apr 2026, 11:48:49 UTC 13 Apr 2026, 11:48:49 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598731 31553762 8 Apr 2026, 11:36:36 UTC 11 Apr 2026, 5:47:01 UTC Completed and validated 12,243.83 11,643.23 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598732 31553768 8 Apr 2026, 11:36:36 UTC 13 Apr 2026, 11:36:36 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598733 31553784 8 Apr 2026, 11:36:36 UTC 9 Apr 2026, 1:33:52 UTC Error while computing 7,938.49 7,891.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


State: All (5) · In progress (3) · Validation pending (0) · Validation inconclusive (0) · Valid (1) · Invalid (0) · Error (1)
Application: All (5) · 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 (0)
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