Workunit 31589695
| name | shp2_A20_A10_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9295 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:42:54 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 |
|---|---|---|---|---|---|---|---|---|
| 38643077 | 579022 | 7 May 2026, 10:43:08 UTC | 8 May 2026, 16:20:29 UTC | Error while computing | 42,662.52 | 42,662.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644426 | 607118 | 8 May 2026, 16:20:35 UTC | 8 May 2026, 18:25:06 UTC | Error while computing | 7,334.22 | 7,266.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644481 | 651346 | 8 May 2026, 18:25:15 UTC | 8 May 2026, 18:25:53 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644482 | 639613 | 8 May 2026, 18:25:59 UTC | 8 May 2026, 21:42:59 UTC | Error while computing | 11,721.63 | 10,238.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644554 | 649995 | 8 May 2026, 21:43:06 UTC | 9 May 2026, 8:32:37 UTC | Error while computing | 1,451.82 | 1,414.57 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644713 | 603009 | 9 May 2026, 8:32:42 UTC | 9 May 2026, 18:08:38 UTC | Error while computing | 34,442.50 | 33,815.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644807 | 618582 | 9 May 2026, 18:08:44 UTC | 9 May 2026, 23:09:39 UTC | Error while computing | 15,538.23 | 14,556.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644832 | 647736 | 9 May 2026, 23:09:42 UTC | 9 May 2026, 23:54:38 UTC | Error while computing | 2,512.69 | 2,468.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644835 | 506550 | 9 May 2026, 23:54:44 UTC | 10 May 2026, 0:08:49 UTC | Error while computing | 354.27 | 255.08 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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