Workunit 31589696
| name | shp2_A20_A10_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6367 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:42:57 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643078 | 632103 | 7 May 2026, 10:43:10 UTC | 7 May 2026, 12:29:41 UTC | Error while computing | 606.72 | 553.11 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643331 | 638061 | 7 May 2026, 12:29:58 UTC | 7 May 2026, 15:33:17 UTC | Error while computing | 3,219.72 | 3,190.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643553 | 648534 | 7 May 2026, 15:33:24 UTC | 7 May 2026, 22:09:22 UTC | Error while computing | 7,879.14 | 7,879.14 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643887 | 400693 | 7 May 2026, 22:09:35 UTC | 9 May 2026, 12:43:18 UTC | Error while computing | 14,174.75 | 13,654.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644764 | 647736 | 9 May 2026, 12:43:22 UTC | 9 May 2026, 16:19:25 UTC | Error while computing | 2,995.01 | 2,918.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644793 | 649650 | 9 May 2026, 16:19:38 UTC | 9 May 2026, 16:19:55 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644794 | 652201 | 9 May 2026, 16:20:05 UTC | 9 May 2026, 22:53:34 UTC | Aborted | 1,530.30 | 1,226.19 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644831 | 652526 | 9 May 2026, 22:53:36 UTC | 10 May 2026, 7:06:26 UTC | Error while computing | 5,809.83 | 5,809.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644862 | 557889 | 10 May 2026, 7:06:34 UTC | 10 May 2026, 20:55:05 UTC | Error while computing | 2,539.02 | 2,491.54 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644949 | 619022 | 10 May 2026, 20:55:14 UTC | 11 May 2026, 2:24:49 UTC | Error while computing | 18,347.99 | 16,790.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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