Workunit 31589592
| name | shp2_A01_A05_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3583 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:32:34 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 |
|---|---|---|---|---|---|---|---|---|
| 38642971 | 604231 | 7 May 2026, 10:32:42 UTC | 7 May 2026, 13:30:06 UTC | Error while computing | 247.56 | 185.06 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643403 | 651952 | 7 May 2026, 13:30:11 UTC | 7 May 2026, 18:24:45 UTC | Error while computing | 2,477.68 | 1,631.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643745 | 550955 | 7 May 2026, 18:24:59 UTC | 8 May 2026, 5:02:28 UTC | Error while computing | 4,131.31 | 4,131.31 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644121 | 639613 | 8 May 2026, 5:02:35 UTC | 8 May 2026, 15:04:41 UTC | Error while computing | 36,006.68 | 2,153.94 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644400 | 637171 | 8 May 2026, 15:04:49 UTC | 8 May 2026, 19:34:31 UTC | Error while computing | 12,873.46 | 12,873.46 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644502 | 652210 | 8 May 2026, 19:34:36 UTC | 10 May 2026, 11:33:21 UTC | Aborted | 3,291.70 | 3,273.96 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644901 | 595174 | 10 May 2026, 11:33:27 UTC | 15 May 2026, 11:33:27 UTC | In progress | --- | --- | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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