Workunit 31589772
| name | shp2_A26_A23_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3792 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:50:04 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 |
|---|---|---|---|---|---|---|---|---|
| 38643160 | 530539 | 7 May 2026, 10:50:11 UTC | 7 May 2026, 16:41:48 UTC | Error while computing | 6,738.64 | 5,925.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643638 | 557889 | 7 May 2026, 16:41:57 UTC | 8 May 2026, 14:12:04 UTC | Error while computing | 17,517.82 | 17,471.76 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644367 | 637595 | 8 May 2026, 14:12:06 UTC | 8 May 2026, 14:42:05 UTC | Error while computing | 1,217.80 | 1,217.80 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644393 | 618802 | 8 May 2026, 14:42:08 UTC | 8 May 2026, 19:15:46 UTC | Error while computing | 16,410.88 | 16,410.88 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644497 | 561610 | 8 May 2026, 19:15:53 UTC | 8 May 2026, 21:26:14 UTC | Error while computing | 663.97 | 662.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644544 | 638123 | 8 May 2026, 21:26:23 UTC | 9 May 2026, 0:09:37 UTC | Error while computing | 9,671.97 | 9,475.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644598 | 638240 | 9 May 2026, 0:09:41 UTC | 9 May 2026, 9:51:21 UTC | Error while computing | 30,404.41 | 30,404.41 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644730 | 400693 | 9 May 2026, 9:51:30 UTC | 10 May 2026, 19:14:11 UTC | Error while computing | 8,658.48 | 8,251.19 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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