Workunit 31589666
| name | shp2_A14_A09_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5943 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:39:54 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 |
|---|---|---|---|---|---|---|---|---|
| 38643047 | 598759 | 7 May 2026, 10:40:07 UTC | 7 May 2026, 11:45:16 UTC | Error while computing | 1,911.76 | 1,804.26 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643266 | 650208 | 7 May 2026, 11:45:28 UTC | 7 May 2026, 12:10:00 UTC | Error while computing | 1,253.34 | 1,253.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38643305 | 610900 | 7 May 2026, 12:10:10 UTC | 7 May 2026, 12:25:50 UTC | Error while computing | 825.70 | 689.34 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643326 | 616003 | 7 May 2026, 12:26:02 UTC | 7 May 2026, 13:56:45 UTC | Error while computing | 270.64 | 201.94 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38643438 | 652496 | 7 May 2026, 13:56:51 UTC | 8 May 2026, 1:44:59 UTC | Error while computing | 1,090.36 | 1,057.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644032 | 648092 | 8 May 2026, 1:45:06 UTC | 8 May 2026, 1:45:40 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644034 | 649650 | 8 May 2026, 1:45:47 UTC | 8 May 2026, 3:37:20 UTC | Error while computing | 735.59 | 716.09 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644090 | 650005 | 8 May 2026, 3:37:30 UTC | 8 May 2026, 5:12:47 UTC | Error while computing | 1,637.44 | 1,622.66 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644124 | 605247 | 8 May 2026, 5:12:49 UTC | 8 May 2026, 5:41:30 UTC | Error while computing | 527.95 | 500.52 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
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