Workunit 31589677
| name | shp2_A17_A19_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5058 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:40:56 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 |
|---|---|---|---|---|---|---|---|---|
| 38643058 | 621622 | 7 May 2026, 10:41:01 UTC | 7 May 2026, 13:55:32 UTC | Error while computing | 11,538.57 | 9,424.78 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643435 | 619022 | 7 May 2026, 13:55:38 UTC | 7 May 2026, 15:12:38 UTC | Error while computing | 1,880.10 | 1,708.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643520 | 642412 | 7 May 2026, 15:12:55 UTC | 7 May 2026, 15:35:49 UTC | Error while computing | 684.99 | 287.19 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643561 | 648092 | 7 May 2026, 15:35:54 UTC | 7 May 2026, 15:36:11 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643563 | 573760 | 7 May 2026, 15:36:29 UTC | 10 May 2026, 8:23:29 UTC | Error while computing | 1,276.75 | 1,014.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644869 | 652526 | 10 May 2026, 8:23:36 UTC | 10 May 2026, 8:28:26 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644870 | 613630 | 10 May 2026, 8:28:35 UTC | 10 May 2026, 9:35:17 UTC | Error while computing | 3,772.06 | 3,299.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644889 | 557889 | 10 May 2026, 9:35:24 UTC | 11 May 2026, 1:56:31 UTC | Error while computing | 17,405.39 | 17,341.17 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644970 | 648066 | 11 May 2026, 1:56:36 UTC | 11 May 2026, 3:58:25 UTC | Error while computing | 6,162.68 | 6,133.55 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644976 | 503617 | 11 May 2026, 3:58:28 UTC | 11 May 2026, 18:06:34 UTC | Error while computing | 1,267.92 | 1,229.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
©2026 Universitat Pompeu Fabra