automatically retry failed QM single points using built in qcengine m…

…ethod (#279)
openforcefield · Aug 4, 2023 · 9726275 · 9726275
1 parent ef63c9f
commit 9726275
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/openff/bespokefit/executor/services/qcgenerator/worker.py b/openff/bespokefit/executor/services/qcgenerator/worker.py
@@ -48,7 +48,7 @@ def _task_config() -> Dict[str, Any]:
         )
     )
 
-    return dict(ncores=n_cores, nnodes=1, memory=round(max_memory, 3))
+    return dict(ncores=n_cores, nnodes=1, memory=round(max_memory, 3), retries=3)
 
 
 def _select_atom(atoms: List[Atom]) -> int: