Workunit 31589723
| name | shp2_A20_A23_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2897 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:45:21 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 |
|---|---|---|---|---|---|---|---|---|
| 38643107 | 650843 | 7 May 2026, 10:45:33 UTC | 7 May 2026, 15:42:44 UTC | Error while computing | 3,623.56 | 3,556.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643570 | 616003 | 7 May 2026, 15:42:51 UTC | 7 May 2026, 19:06:55 UTC | Error while computing | 148.10 | 73.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643772 | 648201 | 7 May 2026, 19:07:14 UTC | 7 May 2026, 19:14:22 UTC | Error while computing | 93.98 | 58.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643777 | 641444 | 7 May 2026, 19:14:35 UTC | 7 May 2026, 19:38:33 UTC | Error while computing | 1,313.07 | 1,159.09 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643801 | 524922 | 7 May 2026, 19:38:39 UTC | 7 May 2026, 20:41:12 UTC | Error while computing | 3,694.79 | 3,694.79 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643840 | 632067 | 7 May 2026, 20:41:21 UTC | 8 May 2026, 15:09:40 UTC | Error while computing | 909.43 | 897.91 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644402 | 638240 | 8 May 2026, 15:09:48 UTC | 8 May 2026, 16:23:20 UTC | Error while computing | 2,236.38 | 2,151.70 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644427 | 649650 | 8 May 2026, 16:23:30 UTC | 8 May 2026, 16:32:57 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644432 | 557889 | 8 May 2026, 16:33:05 UTC | 8 May 2026, 18:57:00 UTC | Error while computing | 7,890.66 | 7,835.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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