Workunit 31589668
| name | shp2_A14_A09_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9658 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:40:00 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643049 | 598759 | 7 May 2026, 10:40:07 UTC | 7 May 2026, 11:10:46 UTC | Error while computing | 947.10 | 869.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643206 | 549890 | 7 May 2026, 11:11:11 UTC | 7 May 2026, 14:34:10 UTC | Error while computing | 585.56 | 585.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643463 | 637595 | 7 May 2026, 14:34:20 UTC | 7 May 2026, 15:07:46 UTC | Error while computing | 414.22 | 414.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643515 | 649510 | 7 May 2026, 15:08:03 UTC | 7 May 2026, 15:18:16 UTC | Error while computing | 425.62 | 404.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643524 | 603009 | 7 May 2026, 15:18:25 UTC | 8 May 2026, 10:52:35 UTC | Error while computing | 1,238.68 | 1,179.49 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644289 | 604231 | 8 May 2026, 10:52:42 UTC | 8 May 2026, 16:37:42 UTC | Error while computing | 360.63 | 360.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644440 | 651346 | 8 May 2026, 16:37:50 UTC | 8 May 2026, 16:38:24 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644441 | 601014 | 8 May 2026, 16:38:30 UTC | 8 May 2026, 16:54:07 UTC | Error while computing | 377.16 | 336.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644446 | 648092 | 8 May 2026, 16:54:18 UTC | 8 May 2026, 16:54:51 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644447 | 104523 | 8 May 2026, 16:55:00 UTC | 8 May 2026, 18:33:13 UTC | Error while computing | 5,756.91 | 5,701.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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