Workunit 31589610
| name | shp2_A05_A25_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2241 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:34:28 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 |
|---|---|---|---|---|---|---|---|---|
| 38642989 | 648916 | 7 May 2026, 10:34:38 UTC | 8 May 2026, 12:17:37 UTC | Error while computing | 8,113.57 | 8,113.57 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644314 | 506550 | 8 May 2026, 12:17:46 UTC | 8 May 2026, 13:30:59 UTC | Error while computing | 1,888.05 | 1,844.53 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644341 | 621726 | 8 May 2026, 13:31:08 UTC | 8 May 2026, 17:12:48 UTC | Error while computing | 13,190.49 | 12,542.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644456 | 611154 | 8 May 2026, 17:12:55 UTC | 8 May 2026, 21:51:01 UTC | Error while computing | 681.05 | 669.79 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644559 | 649650 | 8 May 2026, 21:51:07 UTC | 8 May 2026, 21:51:23 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644560 | 650215 | 8 May 2026, 21:51:32 UTC | 9 May 2026, 5:27:26 UTC | Error while computing | 6,645.16 | 6,645.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644666 | 485535 | 9 May 2026, 5:27:34 UTC | 9 May 2026, 9:32:00 UTC | Error while computing | 447.14 | 317.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644727 | 648066 | 9 May 2026, 9:32:03 UTC | 9 May 2026, 14:24:19 UTC | Error while computing | 12,172.64 | 12,172.64 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644778 | 632253 | 9 May 2026, 14:24:24 UTC | 9 May 2026, 15:00:13 UTC | Error while computing | 2,105.61 | 2,105.61 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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