Workunit 31589774
| name | shp2_A26_A23_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2020 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:50:11 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 |
|---|---|---|---|---|---|---|---|---|
| 38643162 | 627984 | 7 May 2026, 10:50:22 UTC | 7 May 2026, 11:54:17 UTC | Error while computing | 3,745.42 | 3,745.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643284 | 633963 | 7 May 2026, 11:54:23 UTC | 7 May 2026, 15:51:56 UTC | Error while computing | 13,911.08 | 11,053.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643582 | 648092 | 7 May 2026, 15:52:08 UTC | 7 May 2026, 15:52:24 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643583 | 594998 | 7 May 2026, 15:52:34 UTC | 7 May 2026, 17:22:17 UTC | Error while computing | 5,383.00 | 5,511.22 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643677 | 629717 | 7 May 2026, 17:22:27 UTC | 7 May 2026, 18:04:28 UTC | Error while computing | 2,420.88 | 2,220.19 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643722 | 549890 | 7 May 2026, 18:04:46 UTC | 7 May 2026, 21:48:24 UTC | Error while computing | 13,418.00 | 14,089.29 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643872 | 628942 | 7 May 2026, 21:48:27 UTC | 7 May 2026, 21:49:09 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643874 | 595174 | 7 May 2026, 21:49:13 UTC | 13 May 2026, 0:33:39 UTC | Error while computing | 18,229.66 | 18,229.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645111 | 628466 | 12 May 2026, 21:49:20 UTC | 13 May 2026, 0:50:04 UTC | Error while computing | 1,037.76 | 625.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645127 | 615363 | 13 May 2026, 0:50:10 UTC | 13 May 2026, 1:03:21 UTC | Error while computing | 662.71 | 641.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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