Workunit 31589601
| name | shp2_A03_A13_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3102 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:33:27 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 |
|---|---|---|---|---|---|---|---|---|
| 38642980 | 639613 | 7 May 2026, 10:33:40 UTC | 7 May 2026, 23:03:55 UTC | Error while computing | 44,920.09 | 13,179.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643922 | 650215 | 7 May 2026, 23:04:06 UTC | 8 May 2026, 14:04:03 UTC | Error while computing | 2,200.11 | 2,184.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644360 | 628466 | 8 May 2026, 14:04:07 UTC | 8 May 2026, 21:35:52 UTC | Error while computing | 7,441.94 | 5,645.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644548 | 635638 | 8 May 2026, 21:36:04 UTC | 9 May 2026, 1:08:28 UTC | Error while computing | 12,654.77 | 12,639.09 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644611 | 652185 | 9 May 2026, 1:08:33 UTC | 9 May 2026, 6:23:31 UTC | Error while computing | 3,229.13 | 3,229.13 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644684 | 520417 | 9 May 2026, 6:23:39 UTC | 9 May 2026, 6:29:14 UTC | Error while computing | 146.13 | 11.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644685 | 550955 | 9 May 2026, 6:29:19 UTC | 9 May 2026, 7:35:30 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644698 | 648092 | 9 May 2026, 7:35:37 UTC | 9 May 2026, 7:35:55 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644699 | 613630 | 9 May 2026, 7:36:02 UTC | 9 May 2026, 8:25:16 UTC | Error while computing | 2,305.82 | 2,017.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644711 | 485535 | 9 May 2026, 8:25:22 UTC | 9 May 2026, 9:50:03 UTC | Error while computing | 1,053.80 | 873.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
©2026 Universitat Pompeu Fabra