Workunit 31589690
| name | shp2_A20_A09_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5781 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:42:19 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 |
|---|---|---|---|---|---|---|---|---|
| 38643072 | 652393 | 7 May 2026, 10:42:36 UTC | 9 May 2026, 4:43:33 UTC | Error while computing | 19.03 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644648 | 611154 | 9 May 2026, 4:43:44 UTC | 9 May 2026, 4:48:48 UTC | Error while computing | 277.45 | 251.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644653 | 506550 | 9 May 2026, 4:48:57 UTC | 9 May 2026, 5:23:22 UTC | Error while computing | 543.29 | 465.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644664 | 619022 | 9 May 2026, 5:23:27 UTC | 9 May 2026, 8:33:26 UTC | Error while computing | 1,741.32 | 1,627.33 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644714 | 651345 | 9 May 2026, 8:33:35 UTC | 9 May 2026, 8:34:33 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644715 | 647736 | 9 May 2026, 8:34:38 UTC | 9 May 2026, 14:19:26 UTC | Error while computing | 317.93 | 283.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644775 | 651346 | 9 May 2026, 14:19:29 UTC | 9 May 2026, 14:19:46 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644776 | 604231 | 9 May 2026, 14:19:51 UTC | 9 May 2026, 14:24:02 UTC | Error while computing | 174.42 | 98.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644777 | 557889 | 9 May 2026, 14:24:05 UTC | 9 May 2026, 14:56:52 UTC | Error while computing | 182.47 | 138.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644784 | 615733 | 9 May 2026, 14:56:55 UTC | 9 May 2026, 23:38:18 UTC | Error while computing | 259.72 | 131.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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