Workunit 31589669
| name | shp2_A16_A13_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9848 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:40:17 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 |
|---|---|---|---|---|---|---|---|---|
| 38643050 | 649693 | 7 May 2026, 10:40:28 UTC | 8 May 2026, 11:22:53 UTC | Error while computing | 42.35 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644298 | 651345 | 8 May 2026, 11:23:01 UTC | 8 May 2026, 13:53:58 UTC | Error while computing | 2,196.67 | 2,196.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644353 | 628467 | 8 May 2026, 13:54:01 UTC | 8 May 2026, 20:22:02 UTC | Error while computing | 11,644.07 | 11,619.13 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644513 | 648094 | 8 May 2026, 20:22:09 UTC | 8 May 2026, 20:22:26 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644515 | 651346 | 8 May 2026, 20:22:31 UTC | 8 May 2026, 20:22:47 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644516 | 611154 | 8 May 2026, 20:22:51 UTC | 8 May 2026, 23:32:20 UTC | Error while computing | 1,770.47 | 1,770.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644585 | 628942 | 8 May 2026, 23:32:25 UTC | 8 May 2026, 23:33:51 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644587 | 618582 | 8 May 2026, 23:34:02 UTC | 9 May 2026, 1:16:43 UTC | Error while computing | 5,478.05 | 5,478.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644613 | 652185 | 9 May 2026, 1:16:47 UTC | 9 May 2026, 6:39:26 UTC | Error while computing | 1,014.75 | 968.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644686 | 641750 | 9 May 2026, 6:39:31 UTC | 9 May 2026, 8:21:24 UTC | Error while computing | 4,696.01 | 4,537.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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