Workunit 31589638
| name | shp2_A09_A08_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5437 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:36:59 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 |
|---|---|---|---|---|---|---|---|---|
| 38643017 | 594178 | 7 May 2026, 10:37:08 UTC | 7 May 2026, 11:17:18 UTC | Error while computing | 605.81 | 503.91 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643217 | 573760 | 7 May 2026, 11:17:28 UTC | 7 May 2026, 11:48:30 UTC | Error while computing | 1,242.56 | 1,111.23 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643275 | 631341 | 7 May 2026, 11:48:40 UTC | 7 May 2026, 12:55:39 UTC | Error while computing | 619.40 | 522.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643361 | 593616 | 7 May 2026, 12:55:46 UTC | 7 May 2026, 13:02:08 UTC | Error while computing | 266.74 | 136.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643370 | 628467 | 7 May 2026, 13:02:18 UTC | 7 May 2026, 13:15:40 UTC | Error while computing | 358.39 | 260.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643390 | 648092 | 7 May 2026, 13:15:45 UTC | 7 May 2026, 13:16:18 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643391 | 628049 | 7 May 2026, 13:16:25 UTC | 7 May 2026, 15:56:06 UTC | Error while computing | 463.06 | 361.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643591 | 631624 | 7 May 2026, 15:56:17 UTC | 7 May 2026, 16:14:15 UTC | Error while computing | 642.13 | 443.14 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643604 | 611943 | 7 May 2026, 16:14:20 UTC | 7 May 2026, 17:30:48 UTC | Error while computing | 240.68 | 129.23 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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