Workunit 31589698
| name | shp2_A20_A10_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3780 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:43:10 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 |
|---|---|---|---|---|---|---|---|---|
| 38643080 | 637552 | 7 May 2026, 10:43:16 UTC | 7 May 2026, 17:39:55 UTC | Error while computing | 24,189.22 | 5,843.54 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643696 | 649902 | 7 May 2026, 17:39:56 UTC | 7 May 2026, 21:33:51 UTC | Error while computing | 14,035.00 | 14,227.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643859 | 535048 | 7 May 2026, 21:33:57 UTC | 7 May 2026, 21:39:21 UTC | Aborted | 296.91 | 236.70 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643862 | 618582 | 7 May 2026, 21:39:28 UTC | 7 May 2026, 23:17:00 UTC | Error while computing | 3,861.93 | 3,780.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643931 | 652359 | 7 May 2026, 23:17:10 UTC | 8 May 2026, 1:42:05 UTC | Error while computing | 6,856.65 | 6,848.27 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644031 | 632103 | 8 May 2026, 1:42:14 UTC | 8 May 2026, 2:42:57 UTC | Error while computing | 3,579.28 | 3,579.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644066 | 506550 | 8 May 2026, 2:43:02 UTC | 8 May 2026, 3:01:10 UTC | Error while computing | 334.26 | 251.80 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644076 | 629717 | 8 May 2026, 3:01:16 UTC | 8 May 2026, 3:45:28 UTC | Error while computing | 2,556.53 | 2,527.14 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644095 | 650843 | 8 May 2026, 3:45:34 UTC | 8 May 2026, 4:18:42 UTC | Error while computing | 1,863.62 | 1,830.97 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
©2026 Universitat Pompeu Fabra