Workunit 31589659
| name | shp2_A12_A26_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7846 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:39:22 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643040 | 614877 | 7 May 2026, 10:39:26 UTC | 7 May 2026, 11:46:48 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643268 | 613730 | 7 May 2026, 11:46:54 UTC | 7 May 2026, 12:35:39 UTC | Error while computing | 2,874.16 | 2,874.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643335 | 644442 | 7 May 2026, 12:35:46 UTC | 7 May 2026, 14:45:02 UTC | Error while computing | 7,367.89 | 7,305.64 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643479 | 279481 | 7 May 2026, 14:45:18 UTC | 7 May 2026, 15:33:21 UTC | Error while computing | 2,760.74 | 2,727.37 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643555 | 641073 | 7 May 2026, 15:33:28 UTC | 7 May 2026, 15:37:03 UTC | Error while computing | 130.70 | 15.23 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643564 | 613630 | 7 May 2026, 15:37:13 UTC | 7 May 2026, 18:14:18 UTC | Error while computing | 4,312.75 | 3,643.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643730 | 632144 | 7 May 2026, 18:14:27 UTC | 7 May 2026, 19:52:44 UTC | Error while computing | 5,784.08 | 5,745.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643813 | 550864 | 7 May 2026, 19:52:55 UTC | 7 May 2026, 22:41:14 UTC | Error while computing | 9,951.01 | 9,745.08 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643909 | 580989 | 7 May 2026, 22:41:24 UTC | 8 May 2026, 6:12:24 UTC | Error while computing | 2,988.34 | 2,988.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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