Workunit 31589704
| name | shp2_A20_A14_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0807 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:43:54 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 |
|---|---|---|---|---|---|---|---|---|
| 38643087 | 632099 | 7 May 2026, 10:44:01 UTC | 7 May 2026, 12:47:59 UTC | Error while computing | 6,658.08 | 6,658.08 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643351 | 630817 | 7 May 2026, 12:48:09 UTC | 7 May 2026, 15:00:22 UTC | Error while computing | 6,547.59 | 6,547.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643503 | 573558 | 7 May 2026, 15:00:31 UTC | 7 May 2026, 15:06:14 UTC | Error while computing | 229.00 | 140.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643513 | 637595 | 7 May 2026, 15:06:23 UTC | 7 May 2026, 15:29:53 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643543 | 646948 | 7 May 2026, 15:30:03 UTC | 7 May 2026, 16:36:21 UTC | Error while computing | 3,679.42 | 3,679.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643629 | 648092 | 7 May 2026, 16:36:28 UTC | 7 May 2026, 16:36:45 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643631 | 609900 | 7 May 2026, 16:36:52 UTC | 7 May 2026, 17:09:54 UTC | Error while computing | 1,295.41 | 1,228.40 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643664 | 580417 | 7 May 2026, 17:10:02 UTC | 7 May 2026, 18:07:02 UTC | Error while computing | 3,392.72 | 3,392.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643726 | 647736 | 7 May 2026, 18:07:12 UTC | 8 May 2026, 15:35:21 UTC | Error while computing | 5,521.76 | 5,408.29 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644412 | 648578 | 8 May 2026, 15:35:32 UTC | 8 May 2026, 15:54:45 UTC | Error while computing | 763.24 | 685.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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