Workunit 31589633
| name | shp2_A08_A13_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5584 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:36:32 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 |
|---|---|---|---|---|---|---|---|---|
| 38643012 | 549890 | 7 May 2026, 10:36:39 UTC | 7 May 2026, 11:19:38 UTC | Error while computing | 444.18 | 439.27 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643225 | 651963 | 7 May 2026, 11:19:47 UTC | 7 May 2026, 13:36:39 UTC | Error while computing | 1,181.62 | 1,117.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643412 | 628467 | 7 May 2026, 13:37:00 UTC | 7 May 2026, 15:17:44 UTC | Error while computing | 1,443.24 | 1,269.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643523 | 562713 | 7 May 2026, 15:17:58 UTC | 7 May 2026, 15:25:13 UTC | Error while computing | 321.86 | 77.17 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643533 | 610880 | 7 May 2026, 15:25:21 UTC | 10 May 2026, 4:30:05 UTC | Error while computing | 357.99 | 218.88 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644848 | 648535 | 10 May 2026, 4:30:14 UTC | 10 May 2026, 4:36:00 UTC | Error while computing | 225.62 | 173.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644849 | 651330 | 10 May 2026, 4:36:12 UTC | 10 May 2026, 4:40:43 UTC | Error while computing | 150.94 | 143.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644850 | 648094 | 10 May 2026, 4:40:49 UTC | 10 May 2026, 4:41:06 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644851 | 648831 | 10 May 2026, 4:41:14 UTC | 10 May 2026, 4:51:01 UTC | Error while computing | 466.49 | 337.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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