Workunit 31589652
| name | shp2_A12_A02_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0258 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:38:28 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many errors (may have bug) Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643031 | 541192 | 7 May 2026, 10:38:31 UTC | 7 May 2026, 12:26:44 UTC | Error while computing | 2,875.77 | 2,874.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643327 | 631624 | 7 May 2026, 12:26:53 UTC | 7 May 2026, 12:40:02 UTC | Error while computing | 555.39 | 275.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643340 | 621414 | 7 May 2026, 12:40:19 UTC | 8 May 2026, 13:22:01 UTC | Error while computing | 15,771.79 | 15,048.03 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644337 | 621335 | 8 May 2026, 13:22:08 UTC | 8 May 2026, 13:44:04 UTC | Error while computing | 1,201.46 | 1,069.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644348 | 642286 | 8 May 2026, 13:44:10 UTC | 8 May 2026, 14:14:38 UTC | Error while computing | 1,189.92 | 1,055.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644373 | 651346 | 8 May 2026, 14:14:42 UTC | 8 May 2026, 14:15:15 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644374 | 624761 | 8 May 2026, 14:15:21 UTC | 8 May 2026, 14:40:56 UTC | Error while computing | 1,453.74 | 1,237.69 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644390 | 648094 | 8 May 2026, 14:41:02 UTC | 8 May 2026, 14:41:36 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644391 | 615524 | 8 May 2026, 14:41:46 UTC | 8 May 2026, 18:47:12 UTC | Error while computing | 14,558.93 | 14,434.73 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644486 | 644191 | 8 May 2026, 18:47:20 UTC | 9 May 2026, 12:17:56 UTC | Error while computing | 2,096.64 | 2,015.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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