Workunit 31589628
| name | shp2_A08_A02_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6270 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:36:02 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 |
|---|---|---|---|---|---|---|---|---|
| 38643007 | 573760 | 7 May 2026, 10:36:11 UTC | 7 May 2026, 11:17:10 UTC | Error while computing | 919.80 | 799.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643216 | 535048 | 7 May 2026, 11:17:18 UTC | 7 May 2026, 11:24:49 UTC | Error while computing | 372.98 | 270.11 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643233 | 594178 | 7 May 2026, 11:25:16 UTC | 7 May 2026, 11:30:11 UTC | Error while computing | 169.70 | 99.95 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643242 | 551055 | 7 May 2026, 11:30:19 UTC | 8 May 2026, 13:13:52 UTC | Error while computing | 1,135.18 | 1,062.23 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644331 | 648916 | 8 May 2026, 13:13:55 UTC | 8 May 2026, 17:29:07 UTC | Error while computing | 653.87 | 646.09 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644466 | 652202 | 8 May 2026, 17:29:16 UTC | 8 May 2026, 19:58:02 UTC | Error while computing | 171.09 | 115.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644507 | 604231 | 8 May 2026, 19:58:04 UTC | 8 May 2026, 20:08:04 UTC | Error while computing | 323.58 | 323.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644510 | 649650 | 8 May 2026, 20:08:12 UTC | 8 May 2026, 20:08:29 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644511 | 648851 | 8 May 2026, 20:08:37 UTC | 12 May 2026, 2:48:43 UTC | Error while computing | 2,375.80 | 2,375.53 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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