Workunit 31589691
| name | shp2_A20_A09_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2360 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:42:26 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643073 | 623367 | 7 May 2026, 10:42:39 UTC | 7 May 2026, 15:31:01 UTC | Error while computing | 581.63 | 497.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643547 | 637595 | 7 May 2026, 15:31:14 UTC | 7 May 2026, 15:32:20 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643551 | 626541 | 7 May 2026, 15:32:28 UTC | 7 May 2026, 16:22:01 UTC | Error while computing | 581.24 | 281.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643608 | 611154 | 7 May 2026, 16:22:10 UTC | 7 May 2026, 21:52:42 UTC | Error while computing | 639.69 | 624.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643875 | 648916 | 7 May 2026, 21:52:48 UTC | 8 May 2026, 17:22:11 UTC | Error while computing | 1,144.67 | 1,144.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644463 | 652201 | 8 May 2026, 17:22:17 UTC | 9 May 2026, 10:09:53 UTC | Error while computing | 285.99 | 161.53 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644736 | 651330 | 9 May 2026, 10:09:59 UTC | 9 May 2026, 10:15:23 UTC | Error while computing | 93.51 | 77.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644738 | 156955 | 9 May 2026, 10:15:31 UTC | 9 May 2026, 10:26:02 UTC | Error while computing | 348.20 | 200.14 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644739 | 649650 | 9 May 2026, 10:26:10 UTC | 9 May 2026, 10:26:51 UTC | Aborted | 1.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644740 | 651345 | 9 May 2026, 10:27:01 UTC | 9 May 2026, 10:27:17 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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