All tasks for computer 630204



State: All (5) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (2)
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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Show names		Work unit
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(sec)		CPU time
(sec)		CreditApplication
38584194 31545121 16 Dec 2025, 14:44:01 UTC 16 Dec 2025, 14:46:43 UTC Error while computing 56.34 7.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583263 31547426 14 Dec 2025, 0:01:28 UTC 14 Dec 2025, 11:49:02 UTC Completed and validated 13,102.08 12,865.99 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583113 31545066 13 Dec 2025, 19:47:52 UTC 13 Dec 2025, 19:51:05 UTC Error while computing 61.27 14.01 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583114 31547305 13 Dec 2025, 19:47:52 UTC 14 Dec 2025, 0:01:11 UTC Completed and validated 14,540.47 14,259.56 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581835 31545495 12 Dec 2025, 16:02:37 UTC 12 Dec 2025, 19:26:51 UTC Completed and validated 11,720.42 11,276.31 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (5) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (2)
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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