Workunit 31589591
| name | shp2_A01_A05_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5374 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:32:31 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 |
|---|---|---|---|---|---|---|---|---|
| 38642970 | 651346 | 7 May 2026, 10:32:41 UTC | 7 May 2026, 23:23:46 UTC | Error while computing | 3,750.84 | 3,380.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643939 | 506550 | 7 May 2026, 23:23:58 UTC | 8 May 2026, 0:10:59 UTC | Error while computing | 267.02 | 179.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643975 | 619098 | 8 May 2026, 0:11:09 UTC | 13 May 2026, 0:11:09 UTC | Timed out - no response | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645121 | 647736 | 13 May 2026, 0:11:15 UTC | 13 May 2026, 0:26:59 UTC | Error while computing | 918.97 | 878.85 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645125 | 400693 | 13 May 2026, 0:27:02 UTC | 13 May 2026, 14:12:34 UTC | Error while computing | 14,316.01 | 13,791.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645157 | 596137 | 13 May 2026, 14:12:39 UTC | 13 May 2026, 16:26:00 UTC | Error while computing | 7,841.26 | 7,644.06 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645162 | 650754 | 13 May 2026, 16:26:09 UTC | 13 May 2026, 16:40:35 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645164 | 652604 | 13 May 2026, 16:40:42 UTC | 13 May 2026, 19:02:36 UTC | Error while computing | 1,764.61 | 1,764.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645172 | 603009 | 13 May 2026, 19:02:42 UTC | 13 May 2026, 19:36:46 UTC | Error while computing | 1,095.07 | 1,047.45 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645173 | 603512 | 13 May 2026, 19:36:51 UTC | 13 May 2026, 20:04:42 UTC | Error while computing | 930.17 | 883.74 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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