Workunit 31589658
| name | shp2_A12_A04_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8739 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:39:08 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 |
|---|---|---|---|---|---|---|---|---|
| 38643037 | 550955 | 7 May 2026, 10:39:13 UTC | 7 May 2026, 10:59:56 UTC | Error while computing | 696.44 | 696.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643178 | 632099 | 7 May 2026, 11:00:10 UTC | 7 May 2026, 13:05:48 UTC | Aborted | 1,055.63 | 1,024.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643377 | 613630 | 7 May 2026, 13:05:58 UTC | 7 May 2026, 13:46:54 UTC | Error while computing | 1,984.13 | 1,698.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643422 | 625507 | 7 May 2026, 13:47:01 UTC | 7 May 2026, 14:12:32 UTC | Error while computing | 1,412.17 | 1,199.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643446 | 604231 | 7 May 2026, 14:12:37 UTC | 7 May 2026, 17:25:27 UTC | Error while computing | 11,053.61 | 11,053.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643681 | 463199 | 7 May 2026, 17:25:39 UTC | 7 May 2026, 20:11:50 UTC | Error while computing | 9,368.87 | 9,368.87 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643827 | 618582 | 7 May 2026, 20:11:56 UTC | 7 May 2026, 21:39:03 UTC | Error while computing | 4,131.29 | 4,075.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643860 | 648534 | 7 May 2026, 21:39:07 UTC | 8 May 2026, 0:39:52 UTC | Error while computing | 8,618.23 | 8,596.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643990 | 641350 | 8 May 2026, 0:39:57 UTC | 8 May 2026, 3:42:51 UTC | Error while computing | 10,974.00 | 11,054.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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