Workunit 31589703
| name | shp2_A20_A11_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5046 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:43:37 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643085 | 635638 | 7 May 2026, 10:43:46 UTC | 7 May 2026, 19:47:16 UTC | Error while computing | 4,701.03 | 4,623.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643808 | 648066 | 7 May 2026, 19:47:26 UTC | 8 May 2026, 6:49:24 UTC | Error while computing | 723.72 | 688.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644177 | 550955 | 8 May 2026, 6:49:37 UTC | 9 May 2026, 8:54:09 UTC | Error while computing | 15,607.53 | 15,607.53 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644720 | 577959 | 9 May 2026, 8:54:13 UTC | 9 May 2026, 10:44:31 UTC | Error while computing | 5,191.11 | 5,191.11 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644744 | 648092 | 9 May 2026, 10:44:41 UTC | 9 May 2026, 10:45:15 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644745 | 647736 | 9 May 2026, 10:45:22 UTC | 9 May 2026, 15:29:22 UTC | Error while computing | 4,202.68 | 4,113.70 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644787 | 648094 | 9 May 2026, 15:29:26 UTC | 9 May 2026, 15:30:20 UTC | Aborted | 19.30 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644788 | 629467 | 9 May 2026, 15:30:21 UTC | 9 May 2026, 16:36:12 UTC | Error while computing | 3,850.43 | 3,413.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644800 | 651345 | 9 May 2026, 16:36:17 UTC | 9 May 2026, 16:36:56 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644801 | 651346 | 9 May 2026, 16:37:13 UTC | 9 May 2026, 16:37:46 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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