Workunit 31589590
| name | shp2_A01_A05_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7730 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:32:29 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 |
|---|---|---|---|---|---|---|---|---|
| 38642969 | 637595 | 7 May 2026, 10:32:36 UTC | 7 May 2026, 12:50:04 UTC | Error while computing | 92.47 | 69.54 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643357 | 638898 | 7 May 2026, 12:50:12 UTC | 7 May 2026, 13:15:11 UTC | Error while computing | 1,369.34 | 1,334.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643388 | 642860 | 7 May 2026, 13:15:19 UTC | 7 May 2026, 14:41:26 UTC | Error while computing | 5,092.50 | 4,577.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643475 | 156955 | 7 May 2026, 14:41:36 UTC | 7 May 2026, 17:03:22 UTC | Error while computing | 1,058.56 | 876.88 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643656 | 648092 | 7 May 2026, 17:03:29 UTC | 7 May 2026, 17:03:45 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643657 | 652152 | 7 May 2026, 17:04:02 UTC | 7 May 2026, 19:26:22 UTC | Error while computing | 6,178.00 | 5,271.55 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643792 | 642003 | 7 May 2026, 19:26:32 UTC | 7 May 2026, 21:41:14 UTC | Error while computing | 7,794.84 | 6,788.88 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643866 | 506550 | 7 May 2026, 21:41:19 UTC | 7 May 2026, 22:47:00 UTC | Error while computing | 2,035.81 | 2,035.81 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643914 | 611154 | 7 May 2026, 22:47:03 UTC | 8 May 2026, 1:57:41 UTC | Error while computing | 5,426.98 | 5,426.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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