Workunit 31589589
| name | shp2_A01_A05_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3316 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:32:25 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 |
|---|---|---|---|---|---|---|---|---|
| 38642968 | 611154 | 7 May 2026, 10:32:30 UTC | 7 May 2026, 21:05:56 UTC | Error while computing | 9,314.96 | 9,314.96 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643848 | 549890 | 7 May 2026, 21:06:08 UTC | 7 May 2026, 23:49:49 UTC | Error while computing | 9,821.00 | 10,148.60 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643960 | 616787 | 7 May 2026, 23:50:07 UTC | 8 May 2026, 0:21:58 UTC | Error while computing | 120.71 | 92.26 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643978 | 604231 | 8 May 2026, 0:22:12 UTC | 8 May 2026, 3:20:07 UTC | Error while computing | 6,119.78 | 6,119.78 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644083 | 614877 | 8 May 2026, 3:20:18 UTC | 8 May 2026, 9:00:27 UTC | Error while computing | 5,063.62 | 4,969.19 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644237 | 651346 | 8 May 2026, 9:00:38 UTC | 8 May 2026, 14:09:13 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644363 | 651345 | 8 May 2026, 14:09:16 UTC | 8 May 2026, 14:10:54 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644366 | 628466 | 8 May 2026, 14:10:59 UTC | 8 May 2026, 22:16:24 UTC | Error while computing | 6,294.57 | 4,813.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644564 | 506550 | 8 May 2026, 22:16:33 UTC | 8 May 2026, 22:54:23 UTC | Error while computing | 169.44 | 76.86 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644574 | 642492 | 8 May 2026, 22:54:28 UTC | 8 May 2026, 23:28:23 UTC | Error while computing | 1,758.62 | 1,536.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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