Workunit 31589716
| name | shp2_A20_A18_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7100 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:44:54 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 |
|---|---|---|---|---|---|---|---|---|
| 38643099 | 648066 | 7 May 2026, 10:44:56 UTC | 7 May 2026, 15:31:42 UTC | Error while computing | 3,279.48 | 3,251.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643549 | 648105 | 7 May 2026, 15:31:52 UTC | 7 May 2026, 17:39:47 UTC | Error while computing | 6,935.84 | 6,794.14 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643695 | 637552 | 7 May 2026, 17:39:55 UTC | 7 May 2026, 21:42:13 UTC | Error while computing | 14,035.85 | 3,672.04 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643869 | 535048 | 7 May 2026, 21:42:19 UTC | 7 May 2026, 21:43:16 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643870 | 549309 | 7 May 2026, 21:43:23 UTC | 7 May 2026, 21:57:42 UTC | Error while computing | 754.39 | 754.39 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643878 | 639028 | 7 May 2026, 21:57:53 UTC | 7 May 2026, 22:26:21 UTC | Error while computing | 1,435.77 | 1,395.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643898 | 650754 | 7 May 2026, 22:26:25 UTC | 8 May 2026, 7:13:46 UTC | Error while computing | 31,641.00 | 32,103.88 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644189 | 642172 | 8 May 2026, 7:13:52 UTC | 8 May 2026, 7:17:03 UTC | Error while computing | 74.63 | 3.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644192 | 638240 | 8 May 2026, 7:17:12 UTC | 8 May 2026, 11:21:58 UTC | Error while computing | 11,920.30 | 11,920.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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