Workunit 31589717
| name | shp2_A20_A18_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2043 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:44:57 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643100 | 651274 | 7 May 2026, 10:45:05 UTC | 7 May 2026, 11:17:19 UTC | Error while computing | 1,567.08 | 1,462.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643218 | 573760 | 7 May 2026, 11:17:28 UTC | 10 May 2026, 7:56:04 UTC | Error while computing | 4,651.25 | 4,052.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644865 | 648094 | 10 May 2026, 7:56:08 UTC | 10 May 2026, 7:56:25 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644866 | 628467 | 10 May 2026, 7:56:33 UTC | 10 May 2026, 8:38:34 UTC | Error while computing | 1,402.46 | 1,280.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644876 | 647027 | 10 May 2026, 8:38:39 UTC | 12 May 2026, 2:42:56 UTC | Error while computing | 15,083.53 | 15,083.53 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645051 | 588707 | 12 May 2026, 2:43:01 UTC | 12 May 2026, 3:56:26 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645058 | 595174 | 12 May 2026, 3:56:34 UTC | 17 May 2026, 3:56:34 UTC | In progress | --- | --- | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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