All tasks for computer 644401



State: All (4) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (2) · Invalid (0) · Error (2)
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
38583299 31547455 14 Dec 2025, 0:53:03 UTC 14 Dec 2025, 14:28:50 UTC Completed and validated 43,763.01 37,638.62 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582838 31547078 13 Dec 2025, 12:48:36 UTC 14 Dec 2025, 0:52:44 UTC Completed and validated 42,414.64 39,159.00 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582837 31545878 13 Dec 2025, 12:48:19 UTC 13 Dec 2025, 13:06:49 UTC Error while computing 458.34 2.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580811 31545090 11 Dec 2025, 23:07:34 UTC 11 Dec 2025, 23:54:57 UTC Error while computing 111.82 31.88 --- 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 (2) · Invalid (0) · Error (2)
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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