Workunit 31589643
| name | shp2_A10_A23_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4499 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:37:34 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 |
|---|---|---|---|---|---|---|---|---|
| 38643022 | 614877 | 7 May 2026, 10:37:42 UTC | 7 May 2026, 18:06:29 UTC | Error while computing | 124.58 | 31.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643725 | 642492 | 7 May 2026, 18:06:38 UTC | 7 May 2026, 18:29:16 UTC | Error while computing | 85.92 | 33.81 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643749 | 616003 | 7 May 2026, 18:29:27 UTC | 8 May 2026, 6:11:41 UTC | Error while computing | 124.65 | 32.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644152 | 549890 | 8 May 2026, 6:11:50 UTC | 8 May 2026, 6:22:20 UTC | Error while computing | 122.70 | 91.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644159 | 651346 | 8 May 2026, 6:22:31 UTC | 8 May 2026, 7:19:50 UTC | Error while computing | 1,526.76 | 1,347.95 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644194 | 648094 | 8 May 2026, 7:19:58 UTC | 8 May 2026, 14:09:46 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644364 | 506550 | 8 May 2026, 14:09:53 UTC | 8 May 2026, 14:21:29 UTC | Error while computing | 159.60 | 70.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644381 | 634391 | 8 May 2026, 14:21:32 UTC | 8 May 2026, 21:12:35 UTC | Error while computing | 133.82 | 65.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644536 | 647027 | 8 May 2026, 21:12:41 UTC | 11 May 2026, 17:48:55 UTC | Error while computing | 605.73 | 368.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
©2026 Universitat Pompeu Fabra