Workunit 31589684
| name | shp2_A20_A03_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5015 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:41:46 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643066 | 550955 | 7 May 2026, 10:41:51 UTC | 7 May 2026, 17:39:59 UTC | Error while computing | 24,769.31 | 24,769.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643697 | 627984 | 7 May 2026, 17:40:05 UTC | 7 May 2026, 21:04:41 UTC | Error while computing | 5,344.86 | 5,344.86 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643847 | 631156 | 7 May 2026, 21:04:50 UTC | 7 May 2026, 21:19:07 UTC | Error while computing | 686.53 | 557.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643851 | 650215 | 7 May 2026, 21:19:17 UTC | 8 May 2026, 13:27:16 UTC | Error while computing | 1,716.67 | 1,716.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644340 | 644191 | 8 May 2026, 13:27:21 UTC | 9 May 2026, 11:43:52 UTC | Error while computing | 2,139.17 | 2,063.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644750 | 638240 | 9 May 2026, 11:43:56 UTC | 9 May 2026, 14:38:19 UTC | Error while computing | 5,966.98 | 5,919.69 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644780 | 648092 | 9 May 2026, 14:38:24 UTC | 9 May 2026, 14:38:59 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644781 | 649650 | 9 May 2026, 14:39:08 UTC | 9 May 2026, 14:39:25 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644782 | 652201 | 9 May 2026, 14:39:32 UTC | 9 May 2026, 22:27:17 UTC | Error while computing | 26,829.68 | 23,700.89 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644829 | 651346 | 9 May 2026, 22:27:21 UTC | 9 May 2026, 22:27:54 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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