Workunit 31589726
| name | shp2_A21_A06_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9164 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:45:49 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643110 | 617107 | 7 May 2026, 10:45:54 UTC | 7 May 2026, 11:14:55 UTC | Error while computing | 1,652.35 | 980.70 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643213 | 646373 | 7 May 2026, 11:15:02 UTC | 7 May 2026, 11:33:29 UTC | Error while computing | 319.41 | 302.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643248 | 605313 | 7 May 2026, 11:33:52 UTC | 7 May 2026, 11:56:33 UTC | Error while computing | 416.66 | 355.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643285 | 626007 | 7 May 2026, 11:56:40 UTC | 7 May 2026, 12:11:53 UTC | Error while computing | 40.23 | 1.24 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643311 | 639137 | 7 May 2026, 12:12:02 UTC | 7 May 2026, 20:45:37 UTC | Error while computing | 287.59 | 196.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643841 | 503617 | 7 May 2026, 20:45:42 UTC | 10 May 2026, 9:26:17 UTC | Error while computing | 190.23 | 114.91 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644884 | 628942 | 10 May 2026, 9:26:20 UTC | 10 May 2026, 9:27:42 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644885 | 557889 | 10 May 2026, 9:27:44 UTC | 10 May 2026, 21:06:26 UTC | Error while computing | 697.22 | 652.90 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644952 | 506550 | 10 May 2026, 21:06:37 UTC | 10 May 2026, 21:54:23 UTC | Error while computing | 319.53 | 229.33 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
©2026 Universitat Pompeu Fabra