Workunit 31589741
| name | shp2_A22_A05_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8742 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:47:04 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 |
|---|---|---|---|---|---|---|---|---|
| 38643125 | 651352 | 7 May 2026, 10:47:11 UTC | 7 May 2026, 13:23:33 UTC | Error while computing | 9,256.89 | 8,241.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643400 | 651876 | 7 May 2026, 13:23:40 UTC | 7 May 2026, 13:46:13 UTC | Error while computing | 1,226.37 | 1,197.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643420 | 550864 | 7 May 2026, 13:46:18 UTC | 7 May 2026, 14:00:22 UTC | Error while computing | 680.62 | 617.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643442 | 631341 | 7 May 2026, 14:00:27 UTC | 7 May 2026, 14:16:36 UTC | Error while computing | 912.65 | 783.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643448 | 651345 | 7 May 2026, 14:16:42 UTC | 8 May 2026, 1:02:39 UTC | Error while computing | 416.62 | 391.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644007 | 650990 | 8 May 2026, 1:02:50 UTC | 8 May 2026, 14:47:05 UTC | Error while computing | 49,311.87 | 47,024.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644397 | 651346 | 8 May 2026, 14:47:08 UTC | 8 May 2026, 14:47:41 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644398 | 652185 | 8 May 2026, 14:47:48 UTC | 8 May 2026, 21:20:02 UTC | Error while computing | 1,327.33 | 1,297.78 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644541 | 649650 | 8 May 2026, 21:20:13 UTC | 8 May 2026, 21:20:31 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644542 | 648092 | 8 May 2026, 21:20:42 UTC | 8 May 2026, 21:21:15 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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