All tasks for computer 568231



State: All (6) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (3)
Application: All (6) · 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 (1)
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Show names		Work unit
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(sec)		CPU time
(sec)		CreditApplication
38585041 31548492 18 Dec 2025, 15:27:57 UTC 19 Dec 2025, 2:06:22 UTC Completed and validated 38,025.18 37,459.33 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581840 31546249 12 Dec 2025, 16:09:12 UTC 12 Dec 2025, 21:21:36 UTC Completed and validated 18,417.51 17,764.93 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581411 31545935 12 Dec 2025, 10:48:08 UTC 12 Dec 2025, 15:58:47 UTC Completed and validated 18,295.34 17,652.31 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
33796675 27676951 2 Feb 2024, 2:07:47 UTC 2 Feb 2024, 14:32:15 UTC Error while computing 597.33 557.08 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
32626577 27075717 22 Jun 2021, 9:17:06 UTC 22 Jun 2021, 9:42:56 UTC Error while computing 191.80 191.80 --- Anaconda Python 3 Environment v4.01 (cuda100)
x86_64-pc-linux-gnu
32626620 27075760 22 Jun 2021, 9:17:06 UTC 22 Jun 2021, 9:40:44 UTC Error while computing 534.72 263.66 --- Anaconda Python 3 Environment v4.01 (cuda100)
x86_64-pc-linux-gnu


State: All (6) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (3) · Invalid (0) · Error (3)
Application: All (6) · 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 (1)
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