Workunit 31589712
| name | shp2_A20_A15_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5528 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:44:30 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 |
|---|---|---|---|---|---|---|---|---|
| 38643095 | 642492 | 7 May 2026, 10:44:39 UTC | 7 May 2026, 16:12:44 UTC | Error while computing | 2,454.39 | 2,129.45 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643602 | 506550 | 7 May 2026, 16:12:50 UTC | 7 May 2026, 17:31:47 UTC | Error while computing | 2,161.16 | 2,161.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643686 | 186626 | 7 May 2026, 17:31:55 UTC | 8 May 2026, 1:59:37 UTC | Error while computing | 568.42 | 510.15 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644045 | 611060 | 8 May 2026, 1:59:44 UTC | 8 May 2026, 3:14:22 UTC | Error while computing | 4,374.96 | 4,183.41 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644082 | 619022 | 8 May 2026, 3:14:29 UTC | 8 May 2026, 7:11:58 UTC | Error while computing | 4,611.26 | 4,565.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644187 | 647216 | 8 May 2026, 7:12:07 UTC | 8 May 2026, 7:27:11 UTC | Error while computing | 643.82 | 643.82 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644202 | 646174 | 8 May 2026, 7:27:17 UTC | 8 May 2026, 13:54:30 UTC | Error while computing | 3,110.58 | 3,110.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644354 | 648092 | 8 May 2026, 13:54:36 UTC | 8 May 2026, 14:08:39 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644362 | 646098 | 8 May 2026, 14:08:45 UTC | 9 May 2026, 0:49:55 UTC | Error while computing | 18,039.90 | 17,775.41 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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