Workunit 31589656
| name | shp2_A12_A04_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2171 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:38:55 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 |
|---|---|---|---|---|---|---|---|---|
| 38643035 | 637076 | 7 May 2026, 10:39:01 UTC | 7 May 2026, 12:16:43 UTC | Error while computing | 632.88 | 565.38 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643316 | 630949 | 7 May 2026, 12:16:51 UTC | 8 May 2026, 7:11:42 UTC | Error while computing | 4,134.02 | 4,134.02 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644186 | 647216 | 8 May 2026, 7:11:50 UTC | 8 May 2026, 7:16:55 UTC | Error while computing | 193.57 | 170.25 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644191 | 596137 | 8 May 2026, 7:17:02 UTC | 9 May 2026, 12:02:08 UTC | Error while computing | 11,229.14 | 11,108.56 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644753 | 649650 | 9 May 2026, 12:02:11 UTC | 9 May 2026, 12:02:28 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644754 | 652526 | 9 May 2026, 12:02:35 UTC | 9 May 2026, 12:08:06 UTC | Error while computing | 331.00 | 336.89 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644757 | 634391 | 9 May 2026, 12:08:13 UTC | 9 May 2026, 15:48:58 UTC | Error while computing | 13,245.00 | 13,510.95 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644789 | 627736 | 9 May 2026, 15:49:02 UTC | 9 May 2026, 17:13:40 UTC | Error while computing | 2,989.48 | 2,989.48 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644804 | 557889 | 9 May 2026, 17:13:49 UTC | 9 May 2026, 19:02:10 UTC | Error while computing | 6,150.94 | 6,093.28 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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