All tasks for computer 646235



State: All (4) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (1)
Application: All (4) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (4) · 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
38584226 31545390 16 Dec 2025, 16:14:39 UTC 17 Dec 2025, 18:18:07 UTC Completed and validated 14,060.26 14,060.26 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582378 31546699 13 Dec 2025, 3:22:03 UTC 13 Dec 2025, 23:56:18 UTC Completed and validated 15,386.82 15,386.82 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580256 31545128 11 Dec 2025, 14:23:39 UTC 13 Dec 2025, 19:47:01 UTC Completed and validated 63,966.97 26,828.35 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580021 31545071 11 Dec 2025, 13:40:42 UTC 11 Dec 2025, 14:15:15 UTC Error while computing 73.43 19.99 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (4) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (1)
Application: All (4) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (4) · 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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