Workunit 31589766
| name | shp2_A26_A19_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8688 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:49:32 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 |
|---|---|---|---|---|---|---|---|---|
| 38643154 | 585486 | 7 May 2026, 10:50:08 UTC | 7 May 2026, 12:07:48 UTC | Error while computing | 4,527.68 | 4,446.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643303 | 649902 | 7 May 2026, 12:07:58 UTC | 7 May 2026, 12:16:59 UTC | Error while computing | 104.75 | 70.75 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643317 | 579678 | 7 May 2026, 12:17:10 UTC | 8 May 2026, 0:38:31 UTC | Error while computing | 1,384.47 | 1,384.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643988 | 628466 | 8 May 2026, 0:38:37 UTC | 8 May 2026, 3:57:57 UTC | Error while computing | 11,334.27 | 8,603.45 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644099 | 441672 | 8 May 2026, 3:58:07 UTC | 8 May 2026, 5:27:46 UTC | Error while computing | 3,767.84 | 3,624.11 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644135 | 651032 | 8 May 2026, 5:27:57 UTC | 8 May 2026, 9:21:43 UTC | Error while computing | 13,731.21 | 10,572.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644251 | 631341 | 8 May 2026, 9:21:54 UTC | 8 May 2026, 10:58:31 UTC | Error while computing | 4,304.36 | 4,304.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644295 | 611154 | 8 May 2026, 10:58:37 UTC | 8 May 2026, 14:30:13 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644386 | 651345 | 8 May 2026, 14:30:17 UTC | 8 May 2026, 15:29:57 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644408 | 652185 | 8 May 2026, 15:30:04 UTC | 8 May 2026, 21:24:01 UTC | Error while computing | 235.98 | 176.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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