Workunit 31589697
| name | shp2_A20_A10_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND1340 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:43:02 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 |
|---|---|---|---|---|---|---|---|---|
| 38643079 | 606123 | 7 May 2026, 10:43:13 UTC | 8 May 2026, 16:41:25 UTC | Error while computing | 7,456.20 | 7,456.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644443 | 557889 | 8 May 2026, 16:41:32 UTC | 9 May 2026, 4:17:40 UTC | Error while computing | 33,331.68 | 33,231.12 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644642 | 649650 | 9 May 2026, 4:17:47 UTC | 9 May 2026, 4:18:41 UTC | Aborted | 22.31 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644643 | 625602 | 9 May 2026, 4:18:52 UTC | 9 May 2026, 12:19:19 UTC | Error while computing | 9,190.12 | 9,190.12 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644759 | 485535 | 9 May 2026, 12:19:27 UTC | 10 May 2026, 5:15:51 UTC | Error while computing | 3,921.10 | 3,767.95 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644853 | 642492 | 10 May 2026, 5:16:02 UTC | 10 May 2026, 8:55:49 UTC | Error while computing | 5,917.27 | 5,243.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644878 | 628418 | 10 May 2026, 8:55:54 UTC | 10 May 2026, 11:47:10 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644902 | 628466 | 10 May 2026, 11:47:19 UTC | 10 May 2026, 14:10:52 UTC | Error while computing | 8,080.85 | 6,323.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644916 | 652554 | 10 May 2026, 14:11:00 UTC | 10 May 2026, 15:10:36 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644918 | 646128 | 10 May 2026, 15:10:43 UTC | 10 May 2026, 16:10:30 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
©2026 Universitat Pompeu Fabra