All tasks for computer 617939



State: All (11) · In progress (4) · Validation pending (0) · Validation inconclusive (0) · Valid (5) · Invalid (0) · Error (2)
Application: All (11) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (11) · 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)
Task name:

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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
38614776 31567135 17 Apr 2026, 13:53:19 UTC 22 Apr 2026, 13:53:19 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38613563 31566023 16 Apr 2026, 21:54:39 UTC 21 Apr 2026, 21:54:39 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38613119 31565651 16 Apr 2026, 16:08:44 UTC 21 Apr 2026, 16:08:44 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38612469 31565076 16 Apr 2026, 7:40:09 UTC 21 Apr 2026, 7:40:09 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38612206 31564844 16 Apr 2026, 4:11:23 UTC 16 Apr 2026, 22:45:18 UTC Error while computing 61.60 13.35 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38610825 31563656 15 Apr 2026, 13:29:30 UTC 16 Apr 2026, 16:08:27 UTC Completed and validated 14,234.26 14,234.26 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38610799 31563634 15 Apr 2026, 13:13:49 UTC 16 Apr 2026, 12:25:14 UTC Completed and validated 21,965.15 21,965.15 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38609888 31562878 15 Apr 2026, 3:58:34 UTC 16 Apr 2026, 6:39:29 UTC Completed and validated 22,076.85 22,076.85 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38609875 31562865 15 Apr 2026, 3:51:00 UTC 16 Apr 2026, 0:52:58 UTC Error while computing 54.63 13.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38609824 31562816 15 Apr 2026, 3:15:40 UTC 15 Apr 2026, 12:43:14 UTC Completed and validated 11,670.83 11,670.83 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38609823 31562821 15 Apr 2026, 3:15:23 UTC 15 Apr 2026, 9:40:20 UTC Completed and validated 23,097.00 23,408.10 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


State: All (11) · In progress (4) · Validation pending (0) · Validation inconclusive (0) · Valid (5) · Invalid (0) · Error (2)
Application: All (11) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (11) · 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)
Task name:



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