All tasks for computer 546970



State: All (15) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (9) · Invalid (0) · Error (6)
Application: All (15) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (9) · 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 (6)
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Show names		Work unit
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explain		StatusRun time
(sec)		CPU time
(sec)		CreditApplication
38621898 31572737 20 Apr 2026, 12:03:43 UTC 20 Apr 2026, 16:28:36 UTC Completed and validated 15,396.33 12,699.23 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38620837 31571942 19 Apr 2026, 12:47:30 UTC 20 Apr 2026, 10:03:33 UTC Completed and validated 26,901.29 24,262.48 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38620461 31571627 19 Apr 2026, 8:47:13 UTC 19 Apr 2026, 13:47:53 UTC Completed and validated 15,645.81 12,724.30 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38619828 31571107 19 Apr 2026, 2:05:38 UTC 19 Apr 2026, 8:47:13 UTC Completed and validated 23,184.04 21,256.47 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38619072 31570479 18 Apr 2026, 18:24:46 UTC 18 Apr 2026, 23:05:21 UTC Completed and validated 14,950.35 12,661.38 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38617070 31568804 18 Apr 2026, 1:27:08 UTC 18 Apr 2026, 6:05:40 UTC Completed and validated 15,336.92 12,817.02 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38617071 31568805 18 Apr 2026, 1:27:08 UTC 18 Apr 2026, 10:23:52 UTC Completed and validated 15,496.56 12,746.07 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38615333 31567634 17 Apr 2026, 16:59:33 UTC 18 Apr 2026, 1:49:39 UTC Completed and validated 15,776.18 12,728.20 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38615272 31567574 17 Apr 2026, 16:59:33 UTC 17 Apr 2026, 21:26:43 UTC Completed and validated 15,843.45 12,866.38 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
33801026 27678203 2 Feb 2024, 12:22:25 UTC 2 Feb 2024, 13:14:42 UTC Error while computing 3,036.16 2,951.23 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33788181 27678569 2 Feb 2024, 12:09:49 UTC 2 Feb 2024, 12:17:42 UTC Error while computing 387.19 328.11 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33788165 27678556 2 Feb 2024, 12:01:40 UTC 2 Feb 2024, 12:09:49 UTC Error while computing 382.25 306.36 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33800438 27678480 2 Feb 2024, 11:44:37 UTC 2 Feb 2024, 11:49:35 UTC Error while computing 181.45 102.01 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33796208 27676984 2 Feb 2024, 1:05:37 UTC 2 Feb 2024, 11:44:37 UTC Error while computing 232.23 169.91 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
33778746 27668390 1 Feb 2024, 2:12:44 UTC 1 Feb 2024, 2:17:27 UTC Error while computing 186.79 129.25 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


State: All (15) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (9) · Invalid (0) · Error (6)
Application: All (15) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (9) · 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 (6)
Task name:



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