Workunit 31589671
| name | shp2_A16_A13_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6633 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:40:24 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 |
|---|---|---|---|---|---|---|---|---|
| 38643052 | 605313 | 7 May 2026, 10:40:31 UTC | 7 May 2026, 11:09:12 UTC | Error while computing | 1,524.96 | 1,499.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643203 | 648909 | 7 May 2026, 11:09:40 UTC | 7 May 2026, 11:31:51 UTC | Error while computing | 870.72 | 840.77 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643246 | 561721 | 7 May 2026, 11:31:57 UTC | 7 May 2026, 14:20:27 UTC | Error while computing | 6,358.41 | 6,358.41 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643450 | 506550 | 7 May 2026, 14:20:44 UTC | 7 May 2026, 16:51:00 UTC | Error while computing | 6,926.67 | 6,926.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643647 | 650641 | 7 May 2026, 16:51:06 UTC | 7 May 2026, 19:36:00 UTC | Error while computing | 9,621.06 | 8,818.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643799 | 648092 | 7 May 2026, 19:36:13 UTC | 7 May 2026, 19:36:47 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643800 | 610802 | 7 May 2026, 19:36:59 UTC | 7 May 2026, 19:46:06 UTC | Error while computing | 381.43 | 32.13 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643806 | 642492 | 7 May 2026, 19:46:23 UTC | 7 May 2026, 23:25:07 UTC | Error while computing | 1,680.41 | 1,394.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643942 | 583368 | 7 May 2026, 23:25:18 UTC | 8 May 2026, 19:40:40 UTC | Error while computing | 17,597.13 | 17,597.13 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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