Workunit 31589605
| name | shp2_A04_A02_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0890 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:33:52 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 |
|---|---|---|---|---|---|---|---|---|
| 38642984 | 604231 | 7 May 2026, 10:34:01 UTC | 7 May 2026, 13:49:33 UTC | Error while computing | 927.86 | 927.86 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643425 | 648578 | 7 May 2026, 13:49:36 UTC | 7 May 2026, 14:32:03 UTC | Error while computing | 2,414.85 | 2,313.27 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643459 | 649976 | 7 May 2026, 14:32:07 UTC | 7 May 2026, 15:06:01 UTC | Error while computing | 1,892.57 | 1,813.82 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643512 | 549890 | 7 May 2026, 15:06:09 UTC | 7 May 2026, 16:37:00 UTC | Error while computing | 5,451.00 | 5,575.37 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643632 | 609938 | 7 May 2026, 16:37:05 UTC | 7 May 2026, 16:49:31 UTC | Error while computing | 583.59 | 516.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643645 | 619999 | 7 May 2026, 16:49:37 UTC | 12 May 2026, 16:49:37 UTC | Timed out - no response | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645095 | 503617 | 12 May 2026, 16:49:45 UTC | 12 May 2026, 20:47:47 UTC | Error while computing | 184.38 | 118.33 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645106 | 619022 | 12 May 2026, 20:47:55 UTC | 13 May 2026, 6:11:57 UTC | Error while computing | 17,453.24 | 16,822.44 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645144 | 641165 | 13 May 2026, 6:12:07 UTC | 13 May 2026, 9:28:52 UTC | Error while computing | 11,562.75 | 10,004.94 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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