Workunit 31589672
| name | shp2_A16_A13_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9313 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:40:26 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 |
|---|---|---|---|---|---|---|---|---|
| 38643053 | 630949 | 7 May 2026, 10:40:34 UTC | 7 May 2026, 11:16:48 UTC | Error while computing | 1,795.21 | 1,642.94 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643215 | 535048 | 7 May 2026, 11:17:00 UTC | 7 May 2026, 13:06:34 UTC | Error while computing | 6,447.50 | 5,999.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643379 | 610900 | 7 May 2026, 13:06:42 UTC | 7 May 2026, 15:28:19 UTC | Error while computing | 8,189.17 | 7,637.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643538 | 640529 | 7 May 2026, 15:28:28 UTC | 7 May 2026, 15:42:43 UTC | Error while computing | 356.62 | 301.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643569 | 645781 | 7 May 2026, 15:42:51 UTC | 8 May 2026, 16:49:28 UTC | Error while computing | 2,775.01 | 1,606.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644445 | 618710 | 8 May 2026, 16:49:37 UTC | 8 May 2026, 17:16:25 UTC | Error while computing | 1,201.30 | 810.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644458 | 651346 | 8 May 2026, 17:16:32 UTC | 8 May 2026, 17:16:50 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644459 | 620393 | 8 May 2026, 17:16:58 UTC | 8 May 2026, 20:52:22 UTC | Error while computing | 2,912.75 | 2,592.86 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644529 | 506550 | 8 May 2026, 20:52:30 UTC | 8 May 2026, 22:53:25 UTC | Error while computing | 5,682.23 | 5,682.23 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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