Workunit 31589603
| name | shp2_A03_A13_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND2594 |
| application | ATM: Free energy calculations of protein-ligand binding |
| created | 7 May 2026, 10:33:32 UTC |
| minimum quorum | 1 |
| initial replication | 1 |
| max # of error/total/success tasks | 7, 10, 6 |
| errors | Too many total results |
| Task click for details | Computer | Sent | Time reported or deadline explain | Status | Run time (sec) | CPU time (sec) | Credit | Application |
|---|---|---|---|---|---|---|---|---|
| 38642982 | 628418 | 7 May 2026, 10:33:41 UTC | 8 May 2026, 5:18:15 UTC | Error while computing | 2,460.72 | 2,460.72 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644127 | 186626 | 8 May 2026, 5:18:26 UTC | 8 May 2026, 16:36:14 UTC | Error while computing | 1,204.04 | 1,141.94 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| 38644438 | 631156 | 8 May 2026, 16:36:19 UTC | 8 May 2026, 18:51:59 UTC | Error while computing | 7,999.07 | 7,432.81 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644487 | 648094 | 8 May 2026, 18:52:09 UTC | 8 May 2026, 18:52:26 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644488 | 619022 | 8 May 2026, 18:52:32 UTC | 8 May 2026, 20:48:39 UTC | Error while computing | 5,708.70 | 5,708.70 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644526 | 649650 | 8 May 2026, 20:48:46 UTC | 8 May 2026, 20:49:03 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644527 | 648092 | 8 May 2026, 20:49:10 UTC | 8 May 2026, 20:49:27 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644528 | 604231 | 8 May 2026, 20:49:42 UTC | 8 May 2026, 21:13:03 UTC | Error while computing | 1,159.53 | 1,159.53 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644538 | 651345 | 8 May 2026, 21:13:10 UTC | 8 May 2026, 21:13:44 UTC | Aborted | 0.00 | 0.00 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| 38644539 | 618582 | 8 May 2026, 21:13:54 UTC | 9 May 2026, 2:04:15 UTC | Error while computing | 16,452.67 | 16,452.67 | --- | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
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