Workunit 31589683
| name | shp2_A18_A04_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9035 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:41:31 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 |
|---|---|---|---|---|---|---|---|---|
| 38643065 | 491403 | 7 May 2026, 10:41:39 UTC | 8 May 2026, 14:08:21 UTC | Error while computing | 15,388.41 | 15,166.13 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644361 | 613630 | 8 May 2026, 14:08:29 UTC | 8 May 2026, 15:21:01 UTC | Error while computing | 4,044.86 | 3,535.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644404 | 557889 | 8 May 2026, 15:21:08 UTC | 8 May 2026, 15:43:57 UTC | Error while computing | 84.80 | 39.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644414 | 651345 | 8 May 2026, 15:44:04 UTC | 8 May 2026, 15:57:31 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644419 | 651829 | 8 May 2026, 15:57:38 UTC | 8 May 2026, 17:55:58 UTC | Error while computing | 7,100.00 | 7,113.36 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644474 | 652201 | 8 May 2026, 17:56:08 UTC | 9 May 2026, 12:13:50 UTC | Error while computing | 7,539.37 | 6,497.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644758 | 647947 | 9 May 2026, 12:13:57 UTC | 9 May 2026, 12:38:35 UTC | Error while computing | 1,306.91 | 1,151.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644761 | 596137 | 9 May 2026, 12:38:43 UTC | 9 May 2026, 14:16:48 UTC | Error while computing | 170.46 | 83.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644772 | 652526 | 9 May 2026, 14:16:55 UTC | 9 May 2026, 18:22:12 UTC | Error while computing | 1,192.59 | 1,192.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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