Workunit 31589728
| name | shp2_A21_A06_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0702 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:45:56 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 |
|---|---|---|---|---|---|---|---|---|
| 38643112 | 477993 | 7 May 2026, 10:46:02 UTC | 7 May 2026, 11:40:55 UTC | Error while computing | 1,447.39 | 986.09 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643261 | 574909 | 7 May 2026, 11:41:10 UTC | 7 May 2026, 12:10:13 UTC | Error while computing | 1,233.31 | 1,088.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643306 | 642213 | 7 May 2026, 12:10:26 UTC | 7 May 2026, 12:26:55 UTC | Error while computing | 591.16 | 522.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643328 | 535048 | 7 May 2026, 12:26:59 UTC | 7 May 2026, 13:06:34 UTC | Error while computing | 378.66 | 272.70 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643380 | 648092 | 7 May 2026, 13:06:47 UTC | 7 May 2026, 13:07:20 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643381 | 618582 | 7 May 2026, 13:07:29 UTC | 7 May 2026, 14:38:00 UTC | Error while computing | 290.65 | 194.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643468 | 631341 | 7 May 2026, 14:38:13 UTC | 7 May 2026, 15:00:34 UTC | Error while computing | 244.16 | 126.55 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643504 | 652484 | 7 May 2026, 15:00:49 UTC | 7 May 2026, 15:29:55 UTC | Error while computing | 443.58 | 384.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643545 | 637595 | 7 May 2026, 15:30:04 UTC | 7 May 2026, 15:31:14 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643548 | 652436 | 7 May 2026, 15:31:30 UTC | 7 May 2026, 18:19:10 UTC | Error while computing | 664.59 | 593.87 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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