Workunit 31590122
| name | shp2_A17_A19_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-1-6-RND8016 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 10 May 2026, 1:45:03 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38644836 | 651330 | 10 May 2026, 1:45:10 UTC | 10 May 2026, 2:56:17 UTC | Error while computing | 4,267.00 | 4,341.62 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644841 | 618719 | 10 May 2026, 2:56:28 UTC | 10 May 2026, 19:23:48 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644939 | 628867 | 10 May 2026, 19:23:53 UTC | 10 May 2026, 23:57:26 UTC | Error while computing | 6,975.81 | 6,895.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644964 | 503617 | 10 May 2026, 23:57:43 UTC | 11 May 2026, 17:45:34 UTC | Error while computing | 7,970.37 | 7,970.37 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645019 | 613630 | 11 May 2026, 17:45:40 UTC | 11 May 2026, 18:57:44 UTC | Error while computing | 2,936.01 | 2,623.33 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645026 | 557889 | 11 May 2026, 18:57:47 UTC | 12 May 2026, 3:36:43 UTC | Error while computing | 2,132.29 | 2,071.81 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645056 | 604216 | 12 May 2026, 3:36:47 UTC | 12 May 2026, 8:09:09 UTC | Error while computing | 2,872.58 | 2,777.57 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645070 | 652554 | 12 May 2026, 8:09:18 UTC | 12 May 2026, 12:38:48 UTC | Error while computing | 15,809.27 | 15,809.27 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645087 | 603318 | 12 May 2026, 12:38:56 UTC | 12 May 2026, 19:06:37 UTC | Error while computing | 20,976.11 | 20,976.11 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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