Workunit 31589755
| name | shp2_A25_A16_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8581 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:48:27 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 |
|---|---|---|---|---|---|---|---|---|
| 38643143 | 609629 | 7 May 2026, 10:48:36 UTC | 7 May 2026, 11:21:57 UTC | Error while computing | 1,905.90 | 1,807.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643229 | 616686 | 7 May 2026, 11:22:08 UTC | 7 May 2026, 12:04:36 UTC | Error while computing | 149.39 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643296 | 648286 | 7 May 2026, 12:04:44 UTC | 7 May 2026, 12:37:24 UTC | Error while computing | 329.85 | 257.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643337 | 637552 | 7 May 2026, 12:37:30 UTC | 7 May 2026, 13:51:02 UTC | Error while computing | 2,442.84 | 583.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643428 | 610802 | 7 May 2026, 13:51:06 UTC | 7 May 2026, 15:01:04 UTC | Error while computing | 914.60 | 352.45 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643505 | 639933 | 7 May 2026, 15:01:24 UTC | 7 May 2026, 15:59:40 UTC | Error while computing | 3,361.94 | 2,922.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643594 | 652491 | 7 May 2026, 15:59:46 UTC | 7 May 2026, 16:21:59 UTC | Error while computing | 814.89 | 779.68 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643607 | 648092 | 7 May 2026, 16:22:06 UTC | 7 May 2026, 16:22:23 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643609 | 644442 | 7 May 2026, 16:22:30 UTC | 7 May 2026, 16:55:16 UTC | Error while computing | 1,542.34 | 1,492.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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