Workunit 31589759
| name | shp2_A25_A16_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4684 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:48:42 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 |
|---|---|---|---|---|---|---|---|---|
| 38643147 | 546970 | 7 May 2026, 10:48:52 UTC | 7 May 2026, 11:18:53 UTC | Error while computing | 1,213.84 | 1,139.11 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643223 | 637608 | 7 May 2026, 11:19:06 UTC | 7 May 2026, 12:22:24 UTC | Error while computing | 2,616.01 | 2,581.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643323 | 549890 | 7 May 2026, 12:22:31 UTC | 7 May 2026, 15:10:00 UTC | Error while computing | 1,549.88 | 1,549.88 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643517 | 652491 | 7 May 2026, 15:10:10 UTC | 7 May 2026, 15:45:04 UTC | Error while computing | 776.68 | 739.04 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643571 | 648092 | 7 May 2026, 15:45:11 UTC | 7 May 2026, 15:45:44 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643573 | 640732 | 7 May 2026, 15:45:58 UTC | 7 May 2026, 15:53:22 UTC | Error while computing | 315.68 | 192.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643585 | 631341 | 7 May 2026, 15:53:30 UTC | 7 May 2026, 16:39:21 UTC | Error while computing | 1,848.24 | 1,770.94 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643634 | 557889 | 7 May 2026, 16:39:27 UTC | 8 May 2026, 9:20:04 UTC | Error while computing | 968.59 | 919.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644249 | 580989 | 8 May 2026, 9:20:10 UTC | 8 May 2026, 10:45:52 UTC | Error while computing | 583.56 | 508.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
©2026 Universitat Pompeu Fabra