Workunit 31589743
| name | shp2_A22_A05_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3297 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:47:17 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 |
|---|---|---|---|---|---|---|---|---|
| 38643128 | 645619 | 7 May 2026, 10:47:27 UTC | 7 May 2026, 16:26:30 UTC | Error while computing | 19,637.54 | 19,637.54 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643620 | 648092 | 7 May 2026, 16:26:36 UTC | 7 May 2026, 16:26:52 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643621 | 622440 | 7 May 2026, 16:27:00 UTC | 7 May 2026, 21:39:04 UTC | Error while computing | 3,679.48 | 3,661.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643861 | 648534 | 7 May 2026, 21:39:07 UTC | 7 May 2026, 22:15:39 UTC | Error while computing | 389.51 | 330.86 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643891 | 528842 | 7 May 2026, 22:15:44 UTC | 8 May 2026, 9:16:27 UTC | Error while computing | 39,312.20 | 38,949.50 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644245 | 636680 | 8 May 2026, 9:16:29 UTC | 8 May 2026, 12:56:40 UTC | Error while computing | 13,051.94 | 12,887.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644327 | 618582 | 8 May 2026, 12:56:47 UTC | 8 May 2026, 13:51:15 UTC | Error while computing | 1,519.70 | 1,487.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644352 | 580989 | 8 May 2026, 13:51:23 UTC | 8 May 2026, 23:05:17 UTC | Error while computing | 622.79 | 577.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644582 | 619022 | 8 May 2026, 23:05:24 UTC | 9 May 2026, 1:07:40 UTC | Error while computing | 6,514.86 | 6,514.86 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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