Workunit 31589651
| name | shp2_A12_A02_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5407 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:38:25 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643030 | 541192 | 7 May 2026, 10:38:31 UTC | 7 May 2026, 11:39:20 UTC | Error while computing | 2,663.39 | 2,650.39 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643258 | 640525 | 7 May 2026, 11:39:28 UTC | 7 May 2026, 13:11:05 UTC | Error while computing | 5,048.83 | 4,570.45 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643386 | 625602 | 7 May 2026, 13:11:11 UTC | 8 May 2026, 13:06:30 UTC | Error while computing | 16,832.27 | 16,832.27 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644330 | 651346 | 8 May 2026, 13:06:38 UTC | 8 May 2026, 14:12:21 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644368 | 637171 | 8 May 2026, 14:12:27 UTC | 8 May 2026, 14:29:16 UTC | Aborted | 714.68 | 697.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644384 | 630657 | 8 May 2026, 14:29:22 UTC | 8 May 2026, 14:42:48 UTC | Error while computing | 715.51 | 599.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644395 | 652502 | 8 May 2026, 14:42:52 UTC | 8 May 2026, 17:10:58 UTC | Error while computing | 6,186.82 | 6,186.82 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644455 | 652201 | 8 May 2026, 17:11:14 UTC | 8 May 2026, 17:15:17 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644457 | 352477 | 8 May 2026, 17:15:26 UTC | 8 May 2026, 21:21:20 UTC | Error while computing | 13,889.78 | 11,374.42 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644543 | 626715 | 8 May 2026, 21:21:26 UTC | 8 May 2026, 21:50:12 UTC | Error while computing | 965.15 | 857.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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