Workunit 31589673
| name | shp2_A16_A13_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7941 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:40:29 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 |
|---|---|---|---|---|---|---|---|---|
| 38643054 | 640529 | 7 May 2026, 10:40:36 UTC | 7 May 2026, 12:11:53 UTC | Error while computing | 5,371.05 | 5,371.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643310 | 639137 | 7 May 2026, 12:12:02 UTC | 7 May 2026, 20:40:58 UTC | Error while computing | 2,354.33 | 2,292.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643839 | 569442 | 7 May 2026, 20:41:07 UTC | 8 May 2026, 14:15:53 UTC | Error while computing | 10,375.34 | 10,285.18 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644377 | 645105 | 8 May 2026, 14:15:57 UTC | 8 May 2026, 14:22:14 UTC | Error while computing | 288.35 | 227.50 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644382 | 652185 | 8 May 2026, 14:22:17 UTC | 8 May 2026, 17:49:02 UTC | Error while computing | 461.83 | 395.19 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644470 | 651346 | 8 May 2026, 17:49:11 UTC | 8 May 2026, 17:49:44 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644471 | 639028 | 8 May 2026, 17:49:51 UTC | 8 May 2026, 22:51:18 UTC | Error while computing | 17,919.19 | 17,919.19 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644573 | 580989 | 8 May 2026, 22:51:23 UTC | 9 May 2026, 7:38:53 UTC | Error while computing | 8,977.63 | 8,977.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644700 | 400693 | 9 May 2026, 7:38:56 UTC | 10 May 2026, 16:48:45 UTC | Error while computing | 19,277.36 | 18,586.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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