Workunit 31589718
| name | shp2_A20_A18_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6397 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:45:00 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 |
|---|---|---|---|---|---|---|---|---|
| 38643101 | 648534 | 7 May 2026, 10:45:11 UTC | 7 May 2026, 13:35:36 UTC | Error while computing | 289.03 | 227.09 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643409 | 613873 | 7 May 2026, 13:35:43 UTC | 7 May 2026, 17:11:50 UTC | Error while computing | 11,876.02 | 11,651.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643665 | 649098 | 7 May 2026, 17:11:56 UTC | 7 May 2026, 17:17:32 UTC | Error while computing | 247.95 | 122.17 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643671 | 648092 | 7 May 2026, 17:17:36 UTC | 7 May 2026, 17:17:53 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643673 | 646128 | 7 May 2026, 17:17:59 UTC | 7 May 2026, 18:17:48 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643734 | 604231 | 7 May 2026, 18:18:04 UTC | 7 May 2026, 23:19:44 UTC | Error while computing | 9,769.80 | 9,769.80 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643935 | 651952 | 7 May 2026, 23:20:01 UTC | 7 May 2026, 23:58:31 UTC | Error while computing | 1,171.69 | 685.86 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643964 | 651346 | 7 May 2026, 23:58:52 UTC | 8 May 2026, 6:50:59 UTC | Error while computing | 5,177.89 | 4,704.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644178 | 651345 | 8 May 2026, 6:51:14 UTC | 8 May 2026, 10:13:27 UTC | Error while computing | 453.99 | 438.39 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644271 | 648909 | 8 May 2026, 10:13:32 UTC | 8 May 2026, 13:07:59 UTC | Error while computing | 10,037.49 | 10,037.49 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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