Workunit 31589650
| name | shp2_A12_A02_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4156 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:38:22 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643029 | 614877 | 7 May 2026, 10:38:27 UTC | 7 May 2026, 11:47:04 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643270 | 627499 | 7 May 2026, 11:47:25 UTC | 7 May 2026, 13:55:46 UTC | Error while computing | 2,301.12 | 2,188.69 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643437 | 648534 | 7 May 2026, 13:55:53 UTC | 7 May 2026, 16:48:09 UTC | Error while computing | 4,764.55 | 4,739.08 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643644 | 618582 | 7 May 2026, 16:48:18 UTC | 7 May 2026, 19:32:55 UTC | Error while computing | 5,469.73 | 5,369.33 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643795 | 607579 | 7 May 2026, 19:33:05 UTC | 8 May 2026, 16:34:48 UTC | Error while computing | 1,119.81 | 1,057.73 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644434 | 647027 | 8 May 2026, 16:34:54 UTC | 11 May 2026, 22:31:51 UTC | Error while computing | 27,512.19 | 27,512.19 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645038 | 588707 | 11 May 2026, 22:32:01 UTC | 11 May 2026, 23:45:52 UTC | Abandoned | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645041 | 549890 | 11 May 2026, 23:45:57 UTC | 12 May 2026, 1:59:46 UTC | Error while computing | 7,769.52 | 7,769.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645047 | 604216 | 12 May 2026, 1:59:51 UTC | 12 May 2026, 4:56:04 UTC | Error while computing | 5,581.82 | 5,449.40 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645061 | 646260 | 12 May 2026, 4:56:11 UTC | 17 May 2026, 4:56:11 UTC | In progress | --- | --- | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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