Workunit 31589753
| name | shp2_A24_A06_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4525 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:48:09 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643141 | 610128 | 7 May 2026, 10:48:34 UTC | 8 May 2026, 16:09:10 UTC | Error while computing | 186.15 | 78.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644423 | 618582 | 8 May 2026, 16:09:20 UTC | 8 May 2026, 16:32:28 UTC | Error while computing | 189.57 | 121.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644430 | 648534 | 8 May 2026, 16:32:35 UTC | 8 May 2026, 16:36:40 UTC | Error while computing | 195.11 | 124.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644439 | 557889 | 8 May 2026, 16:36:49 UTC | 8 May 2026, 19:01:53 UTC | Error while computing | 347.48 | 296.71 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644489 | 652509 | 8 May 2026, 19:02:04 UTC | 8 May 2026, 21:47:53 UTC | Error while computing | 239.97 | 129.69 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644555 | 648092 | 8 May 2026, 21:48:01 UTC | 8 May 2026, 21:48:18 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644556 | 628942 | 8 May 2026, 21:48:27 UTC | 8 May 2026, 21:49:39 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644557 | 652185 | 8 May 2026, 21:49:47 UTC | 9 May 2026, 0:51:23 UTC | Error while computing | 252.27 | 185.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644608 | 642286 | 9 May 2026, 0:51:27 UTC | 9 May 2026, 1:19:53 UTC | Error while computing | 413.44 | 330.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644614 | 503617 | 9 May 2026, 1:19:57 UTC | 10 May 2026, 22:11:27 UTC | Error while computing | 202.58 | 137.51 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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