Workunit 31589686
| name | shp2_A20_A03_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4075 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:41:54 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 |
|---|---|---|---|---|---|---|---|---|
| 38643068 | 649517 | 7 May 2026, 10:42:04 UTC | 7 May 2026, 13:36:55 UTC | Error while computing | 449.60 | 429.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643413 | 626877 | 7 May 2026, 13:37:02 UTC | 7 May 2026, 13:42:17 UTC | Error while computing | 224.57 | 169.98 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643416 | 604231 | 7 May 2026, 13:42:21 UTC | 7 May 2026, 13:52:56 UTC | Error while computing | 421.48 | 421.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643432 | 495923 | 7 May 2026, 13:53:02 UTC | 7 May 2026, 14:52:58 UTC | Error while computing | 3,576.78 | 3,576.78 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643488 | 646239 | 7 May 2026, 14:53:09 UTC | 7 May 2026, 15:46:15 UTC | Error while computing | 62.38 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643574 | 632103 | 7 May 2026, 15:46:24 UTC | 7 May 2026, 16:00:01 UTC | Aborted | 740.97 | 698.84 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643595 | 648092 | 7 May 2026, 16:00:09 UTC | 7 May 2026, 16:00:42 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643596 | 641223 | 7 May 2026, 16:00:49 UTC | 7 May 2026, 16:22:25 UTC | Error while computing | 876.87 | 869.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643610 | 644442 | 7 May 2026, 16:22:30 UTC | 8 May 2026, 1:02:55 UTC | Error while computing | 28,763.32 | 28,572.06 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644008 | 649655 | 8 May 2026, 1:03:06 UTC | 8 May 2026, 2:03:28 UTC | Error while computing | 3,515.48 | 3,515.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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