Workunit 31589664
| name | shp2_A14_A09_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9962 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:39:48 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 |
|---|---|---|---|---|---|---|---|---|
| 38643045 | 652479 | 7 May 2026, 10:39:51 UTC | 7 May 2026, 16:36:22 UTC | Error while computing | 17,976.64 | 15,722.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643630 | 573760 | 7 May 2026, 16:36:36 UTC | 10 May 2026, 9:17:13 UTC | Error while computing | 3,187.57 | 2,733.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644880 | 557889 | 10 May 2026, 9:17:20 UTC | 10 May 2026, 21:43:46 UTC | Error while computing | 3,042.95 | 2,993.54 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644954 | 648066 | 10 May 2026, 21:43:55 UTC | 10 May 2026, 22:42:02 UTC | Error while computing | 3,163.91 | 3,128.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644958 | 643237 | 10 May 2026, 22:42:13 UTC | 10 May 2026, 22:44:37 UTC | Error while computing | 60.12 | 0.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644959 | 634391 | 10 May 2026, 22:44:42 UTC | 10 May 2026, 22:54:37 UTC | Error while computing | 487.98 | 455.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644961 | 642492 | 10 May 2026, 22:54:45 UTC | 10 May 2026, 23:07:13 UTC | Error while computing | 435.51 | 346.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644962 | 503617 | 10 May 2026, 23:07:25 UTC | 11 May 2026, 15:33:33 UTC | Error while computing | 1,276.18 | 1,251.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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