Workunit 31589644
| name | shp2_A11_A13_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3174 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:37:52 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 |
|---|---|---|---|---|---|---|---|---|
| 38643023 | 614877 | 7 May 2026, 10:37:59 UTC | 7 May 2026, 20:21:02 UTC | Error while computing | 8,042.80 | 7,744.64 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643832 | 648092 | 7 May 2026, 20:21:12 UTC | 7 May 2026, 20:21:46 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643833 | 648094 | 7 May 2026, 20:21:51 UTC | 8 May 2026, 2:02:03 UTC | Error while computing | 2,074.92 | 2,074.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644046 | 649650 | 8 May 2026, 2:02:12 UTC | 8 May 2026, 6:00:25 UTC | Error while computing | 8,812.70 | 8,812.70 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644146 | 625210 | 8 May 2026, 6:00:35 UTC | 8 May 2026, 6:20:54 UTC | Error while computing | 979.83 | 932.43 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644156 | 611392 | 8 May 2026, 6:21:05 UTC | 8 May 2026, 6:21:46 UTC | Error while computing | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644158 | 602597 | 8 May 2026, 6:21:56 UTC | 8 May 2026, 6:29:36 UTC | Error while computing | 370.97 | 239.78 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644165 | 651345 | 8 May 2026, 6:29:42 UTC | 8 May 2026, 9:38:21 UTC | Error while computing | 4,961.95 | 4,961.95 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644257 | 602633 | 8 May 2026, 9:38:26 UTC | 8 May 2026, 10:14:18 UTC | Error while computing | 568.28 | 539.73 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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