Workunit 31589648
| name | shp2_A11_A13_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7557 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:38:05 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 |
|---|---|---|---|---|---|---|---|---|
| 38643027 | 652210 | 7 May 2026, 10:38:13 UTC | 7 May 2026, 12:02:46 UTC | Error while computing | 4,960.14 | 4,949.59 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643295 | 441672 | 7 May 2026, 12:02:57 UTC | 7 May 2026, 12:48:50 UTC | Error while computing | 1,827.79 | 1,642.58 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643355 | 618779 | 7 May 2026, 12:49:02 UTC | 7 May 2026, 13:37:48 UTC | Error while computing | 1,864.83 | 1,864.83 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643414 | 639421 | 7 May 2026, 13:37:51 UTC | 7 May 2026, 19:09:05 UTC | Error while computing | 18,422.52 | 18,422.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643775 | 648092 | 7 May 2026, 19:09:14 UTC | 7 May 2026, 19:09:48 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643776 | 641806 | 7 May 2026, 19:09:58 UTC | 7 May 2026, 19:34:47 UTC | Error while computing | 1,285.69 | 1,118.16 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643797 | 602451 | 7 May 2026, 19:35:09 UTC | 7 May 2026, 21:15:40 UTC | Error while computing | 5,898.20 | 5,762.06 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643849 | 611154 | 7 May 2026, 21:15:47 UTC | 8 May 2026, 0:29:21 UTC | Error while computing | 2,734.35 | 2,734.35 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643980 | 632144 | 8 May 2026, 0:29:27 UTC | 8 May 2026, 1:36:38 UTC | Error while computing | 3,924.36 | 3,875.41 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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