Workunit 31589742
| name | shp2_A22_A05_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2978 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:47:09 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 |
|---|---|---|---|---|---|---|---|---|
| 38643126 | 615524 | 7 May 2026, 10:47:16 UTC | 7 May 2026, 11:53:34 UTC | Error while computing | 3,827.62 | 3,752.89 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643283 | 550955 | 7 May 2026, 11:53:53 UTC | 7 May 2026, 12:01:31 UTC | Error while computing | 172.17 | 65.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643291 | 641051 | 7 May 2026, 12:01:38 UTC | 7 May 2026, 12:16:42 UTC | Error while computing | 780.35 | 664.47 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643315 | 630949 | 7 May 2026, 12:16:51 UTC | 7 May 2026, 13:35:27 UTC | Error while computing | 3,378.42 | 3,182.73 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643408 | 648092 | 7 May 2026, 13:35:32 UTC | 7 May 2026, 13:35:50 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643410 | 618582 | 7 May 2026, 13:36:00 UTC | 7 May 2026, 14:35:22 UTC | Error while computing | 179.97 | 94.30 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643465 | 631341 | 7 May 2026, 14:35:34 UTC | 7 May 2026, 15:26:10 UTC | Error while computing | 1,917.51 | 1,888.64 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643536 | 637595 | 7 May 2026, 15:26:20 UTC | 7 May 2026, 15:29:53 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643544 | 625304 | 7 May 2026, 15:30:05 UTC | 8 May 2026, 13:24:33 UTC | Error while computing | 5,685.08 | 5,685.08 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644339 | 648066 | 8 May 2026, 13:24:44 UTC | 9 May 2026, 1:16:28 UTC | Error while computing | 8,143.33 | 8,129.81 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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