Workunit 31589946
| name | shp2_A12_A04_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-1-6-RND4488 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 8 May 2026, 4:32:41 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 |
|---|---|---|---|---|---|---|---|---|
| 38644113 | 549890 | 8 May 2026, 4:32:45 UTC | 8 May 2026, 5:21:28 UTC | Error while computing | 1,821.48 | 1,821.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644130 | 638240 | 8 May 2026, 5:21:40 UTC | 8 May 2026, 6:38:23 UTC | Error while computing | 2,435.14 | 2,229.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644170 | 485535 | 8 May 2026, 6:38:39 UTC | 9 May 2026, 7:27:23 UTC | Error while computing | 9,564.59 | 9,076.17 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644696 | 611154 | 9 May 2026, 7:27:33 UTC | 9 May 2026, 7:54:03 UTC | Error while computing | 1,542.93 | 1,421.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644701 | 645443 | 9 May 2026, 7:54:10 UTC | 9 May 2026, 10:30:32 UTC | Error while computing | 9,103.31 | 7,908.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644741 | 649650 | 9 May 2026, 10:30:41 UTC | 9 May 2026, 10:30:57 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644742 | 503617 | 9 May 2026, 10:31:05 UTC | 10 May 2026, 22:46:27 UTC | Error while computing | 2,068.67 | 2,015.63 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644960 | 652478 | 10 May 2026, 22:46:33 UTC | 11 May 2026, 0:04:25 UTC | Error while computing | 3,617.21 | 3,439.05 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644965 | 619022 | 11 May 2026, 0:04:34 UTC | 11 May 2026, 6:53:13 UTC | Error while computing | 24,519.00 | 29,103.92 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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