Workunit 31589749
| name | shp2_A22_A13_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3723 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:47:46 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643136 | 634518 | 7 May 2026, 10:48:02 UTC | 7 May 2026, 11:46:42 UTC | Error while computing | 3,293.18 | 3,286.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643267 | 614877 | 7 May 2026, 11:46:48 UTC | 7 May 2026, 11:47:04 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643271 | 641764 | 7 May 2026, 11:47:33 UTC | 7 May 2026, 12:40:02 UTC | Error while computing | 294.70 | 239.79 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643341 | 609950 | 7 May 2026, 12:40:23 UTC | 7 May 2026, 15:15:39 UTC | Error while computing | 9,224.00 | 8,621.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643522 | 648742 | 7 May 2026, 15:15:49 UTC | 7 May 2026, 15:53:46 UTC | Error while computing | 2,126.30 | 1,921.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643587 | 648092 | 7 May 2026, 15:53:56 UTC | 7 May 2026, 15:54:12 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643588 | 613630 | 7 May 2026, 15:54:20 UTC | 7 May 2026, 19:19:38 UTC | Error while computing | 3,810.29 | 3,223.50 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643780 | 633620 | 7 May 2026, 19:19:50 UTC | 10 May 2026, 21:25:11 UTC | Error while computing | 31,151.62 | 30,696.95 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644953 | 648066 | 10 May 2026, 21:25:20 UTC | 10 May 2026, 22:10:43 UTC | Error while computing | 1,806.33 | 1,761.46 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644956 | 651345 | 10 May 2026, 22:10:50 UTC | 10 May 2026, 22:11:44 UTC | Aborted | 20.15 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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