Workunit 31589708
| name | shp2_A20_A14_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0390 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:44:07 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38643091 | 549890 | 7 May 2026, 10:44:13 UTC | 7 May 2026, 14:57:10 UTC | Error while computing | 7,539.20 | 7,539.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643496 | 626902 | 7 May 2026, 14:57:20 UTC | 7 May 2026, 15:02:08 UTC | Error while computing | 89.60 | 39.20 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643507 | 616003 | 7 May 2026, 15:02:20 UTC | 7 May 2026, 18:59:40 UTC | Error while computing | 2,474.19 | 2,201.81 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643766 | 639302 | 7 May 2026, 18:59:51 UTC | 7 May 2026, 19:40:29 UTC | Error while computing | 2,314.23 | 2,138.86 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643802 | 651330 | 7 May 2026, 19:40:34 UTC | 7 May 2026, 21:40:02 UTC | Error while computing | 1,312.40 | 1,312.40 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643863 | 642839 | 7 May 2026, 21:40:07 UTC | 12 May 2026, 21:40:07 UTC | Timed out - no response | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645109 | 647736 | 12 May 2026, 21:40:12 UTC | 13 May 2026, 0:00:00 UTC | Error while computing | 1,779.93 | 1,727.82 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38645120 | 604442 | 13 May 2026, 0:01:07 UTC | 13 May 2026, 3:25:52 UTC | Error while computing | 5,645.89 | 5,633.97 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38645135 | 594606 | 13 May 2026, 3:26:05 UTC | 18 May 2026, 3:26:05 UTC | In progress | --- | --- | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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