Workunit 31589596
| name | shp2_A01_A13_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5516 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:33:00 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 |
|---|---|---|---|---|---|---|---|---|
| 38642975 | 632103 | 7 May 2026, 10:33:10 UTC | 7 May 2026, 11:00:29 UTC | Error while computing | 1,386.90 | 1,367.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643181 | 645767 | 7 May 2026, 11:00:36 UTC | 8 May 2026, 5:50:24 UTC | Error while computing | 67,598.83 | 62,027.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644144 | 580989 | 8 May 2026, 5:50:32 UTC | 8 May 2026, 10:35:58 UTC | Error while computing | 812.92 | 736.06 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644281 | 603009 | 8 May 2026, 10:36:08 UTC | 8 May 2026, 20:23:02 UTC | Error while computing | 3,995.44 | 3,733.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644517 | 648092 | 8 May 2026, 20:23:05 UTC | 8 May 2026, 20:23:22 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644518 | 634391 | 8 May 2026, 20:23:25 UTC | 8 May 2026, 21:40:35 UTC | Error while computing | 1,707.59 | 1,707.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644550 | 648094 | 8 May 2026, 21:40:44 UTC | 8 May 2026, 21:41:05 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644551 | 649650 | 8 May 2026, 21:41:15 UTC | 8 May 2026, 21:41:32 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644552 | 611154 | 8 May 2026, 21:41:44 UTC | 9 May 2026, 3:52:39 UTC | Error while computing | 16,267.24 | 16,267.24 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644636 | 506550 | 9 May 2026, 3:52:48 UTC | 9 May 2026, 5:13:26 UTC | Error while computing | 3,731.03 | 3,706.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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