Workunit 31589770
| name | shp2_A26_A23_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8556 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:49:58 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643158 | 648286 | 7 May 2026, 10:50:32 UTC | 7 May 2026, 12:31:27 UTC | Error while computing | 3,575.56 | 3,575.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643333 | 621414 | 7 May 2026, 12:31:38 UTC | 7 May 2026, 21:19:40 UTC | Error while computing | 15,773.20 | 14,297.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643853 | 628466 | 7 May 2026, 21:19:47 UTC | 7 May 2026, 22:20:33 UTC | Error while computing | 1,096.57 | 771.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643896 | 631341 | 7 May 2026, 22:20:39 UTC | 7 May 2026, 22:37:12 UTC | Error while computing | 376.86 | 224.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643907 | 594998 | 7 May 2026, 22:37:17 UTC | 8 May 2026, 15:26:14 UTC | Error while computing | 5,229.48 | 5,229.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644406 | 637595 | 8 May 2026, 15:26:24 UTC | 8 May 2026, 15:48:07 UTC | Error while computing | 1,127.08 | 1,127.08 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644416 | 648094 | 8 May 2026, 15:48:15 UTC | 8 May 2026, 15:48:32 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644417 | 504338 | 8 May 2026, 15:48:39 UTC | 13 May 2026, 15:49:34 UTC | Not started by deadline - canceled | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645160 | 628418 | 13 May 2026, 15:48:46 UTC | 13 May 2026, 16:41:15 UTC | Aborted | 2,652.22 | 2,652.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645165 | 637608 | 13 May 2026, 16:41:23 UTC | 13 May 2026, 20:57:14 UTC | Error while computing | 12,013.12 | 12,013.12 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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