Workunit 31589764
| name | shp2_A26_A17_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4806 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:49:14 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 |
|---|---|---|---|---|---|---|---|---|
| 38643152 | 530539 | 7 May 2026, 10:50:11 UTC | 7 May 2026, 14:31:47 UTC | Error while computing | 13,079.84 | 11,540.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643458 | 400693 | 7 May 2026, 14:31:58 UTC | 9 May 2026, 8:45:16 UTC | Error while computing | 8,883.01 | 8,413.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644718 | 649650 | 9 May 2026, 8:45:22 UTC | 9 May 2026, 8:46:00 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644719 | 611154 | 9 May 2026, 8:46:05 UTC | 9 May 2026, 12:06:04 UTC | Error while computing | 11,999.00 | 12,451.99 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644755 | 648066 | 9 May 2026, 12:06:11 UTC | 10 May 2026, 6:07:11 UTC | Error while computing | 5,622.63 | 5,622.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644857 | 648094 | 10 May 2026, 6:07:15 UTC | 10 May 2026, 6:07:32 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644858 | 647736 | 10 May 2026, 6:07:44 UTC | 10 May 2026, 6:55:44 UTC | Error while computing | 2,811.15 | 2,745.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644861 | 557889 | 10 May 2026, 6:55:54 UTC | 10 May 2026, 20:49:20 UTC | Error while computing | 10,901.94 | 10,829.41 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644947 | 549890 | 10 May 2026, 20:49:30 UTC | 10 May 2026, 22:34:15 UTC | Error while computing | 6,285.00 | 6,400.95 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644957 | 652554 | 10 May 2026, 22:34:22 UTC | 11 May 2026, 4:54:58 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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