From 97262756c5c014e9bd5f799d64755b7f73a6160e Mon Sep 17 00:00:00 2001 From: Josh Horton Date: Fri, 4 Aug 2023 05:43:57 -0400 Subject: [PATCH] automatically retry failed QM single points using built in qcengine method (#279) --- openff/bespokefit/executor/services/qcgenerator/worker.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/openff/bespokefit/executor/services/qcgenerator/worker.py b/openff/bespokefit/executor/services/qcgenerator/worker.py index bf49ad43..e8300a5f 100644 --- 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: