Workunit 31589714
| name | shp2_A20_A18_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND1111 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:44:47 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 |
|---|---|---|---|---|---|---|---|---|
| 38643097 | 156955 | 7 May 2026, 10:44:51 UTC | 7 May 2026, 13:18:56 UTC | Error while computing | 2,618.43 | 2,412.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643393 | 648092 | 7 May 2026, 13:19:04 UTC | 7 May 2026, 13:19:22 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643394 | 610949 | 7 May 2026, 13:19:27 UTC | 7 May 2026, 14:40:33 UTC | Error while computing | 4,758.69 | 4,263.94 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643474 | 652497 | 7 May 2026, 14:40:42 UTC | 7 May 2026, 14:55:14 UTC | Error while computing | 761.17 | 684.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643493 | 648432 | 7 May 2026, 14:55:22 UTC | 7 May 2026, 17:35:22 UTC | Error while computing | 9,461.43 | 9,095.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643692 | 549890 | 7 May 2026, 17:35:31 UTC | 7 May 2026, 17:45:59 UTC | Error while computing | 352.18 | 352.18 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643704 | 639302 | 7 May 2026, 17:46:04 UTC | 7 May 2026, 18:59:51 UTC | Error while computing | 4,310.85 | 4,044.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643767 | 616787 | 7 May 2026, 19:00:05 UTC | 7 May 2026, 20:25:14 UTC | Error while computing | 3,664.99 | 3,664.99 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643834 | 652450 | 7 May 2026, 20:25:22 UTC | 7 May 2026, 21:19:58 UTC | Error while computing | 2,974.10 | 2,879.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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