Workunit 31589685
| name | shp2_A20_A03_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4595 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:41:50 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 |
|---|---|---|---|---|---|---|---|---|
| 38643067 | 491403 | 7 May 2026, 10:41:56 UTC | 8 May 2026, 17:00:43 UTC | Error while computing | 10,342.99 | 10,180.73 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644451 | 648957 | 8 May 2026, 17:00:50 UTC | 8 May 2026, 19:12:47 UTC | Error while computing | 7,110.59 | 6,868.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644493 | 648092 | 8 May 2026, 19:12:53 UTC | 8 May 2026, 19:13:27 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644494 | 651346 | 8 May 2026, 19:13:35 UTC | 8 May 2026, 19:13:52 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644495 | 506550 | 8 May 2026, 19:13:58 UTC | 8 May 2026, 21:19:06 UTC | Error while computing | 6,770.81 | 6,770.81 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644540 | 603009 | 8 May 2026, 21:19:17 UTC | 9 May 2026, 0:34:16 UTC | Error while computing | 2,589.74 | 2,522.65 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644605 | 637171 | 9 May 2026, 0:34:25 UTC | 9 May 2026, 3:39:43 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644633 | 652262 | 9 May 2026, 3:39:48 UTC | 9 May 2026, 5:28:06 UTC | Error while computing | 6,498.00 | 6,545.39 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644667 | 651345 | 9 May 2026, 5:28:13 UTC | 9 May 2026, 5:28:48 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644669 | 580989 | 9 May 2026, 5:28:53 UTC | 9 May 2026, 9:55:43 UTC | Error while computing | 6,918.21 | 6,888.80 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
©2026 Universitat Pompeu Fabra