Workunit 31589769
| name | shp2_A26_A19_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4452 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:49:45 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 |
|---|---|---|---|---|---|---|---|---|
| 38643157 | 648286 | 7 May 2026, 10:50:32 UTC | 7 May 2026, 11:33:25 UTC | Error while computing | 2,443.96 | 2,440.50 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643247 | 648916 | 7 May 2026, 11:33:51 UTC | 8 May 2026, 17:22:11 UTC | Error while computing | 12,223.16 | 12,223.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644464 | 621414 | 8 May 2026, 17:22:20 UTC | 8 May 2026, 17:27:17 UTC | Error while computing | 175.45 | 52.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644465 | 613730 | 8 May 2026, 17:27:26 UTC | 8 May 2026, 18:17:59 UTC | Error while computing | 3,033.00 | 3,042.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644479 | 603009 | 8 May 2026, 18:18:07 UTC | 8 May 2026, 23:48:30 UTC | Error while computing | 11,534.94 | 11,185.91 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644593 | 647736 | 8 May 2026, 23:48:35 UTC | 9 May 2026, 5:28:20 UTC | Error while computing | 407.70 | 371.18 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644668 | 580989 | 9 May 2026, 5:28:28 UTC | 9 May 2026, 7:58:03 UTC | Error while computing | 170.33 | 80.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644703 | 648092 | 9 May 2026, 7:58:07 UTC | 9 May 2026, 7:58:23 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644704 | 611154 | 9 May 2026, 7:58:27 UTC | 9 May 2026, 8:38:50 UTC | Aborted | 2,423.00 | 2,478.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644717 | 648094 | 9 May 2026, 8:38:57 UTC | 9 May 2026, 8:39:32 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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