diff --git a/src/quacc/settings.py b/src/quacc/settings.py index 8a5d6e03b4..c78a45b06f 100644 --- a/src/quacc/settings.py +++ b/src/quacc/settings.py @@ -465,8 +465,13 @@ def validate_espresso_parallel_cmd( cls, v: Union[str, tuple[str, str]] ) -> tuple[str, str]: """Clean up Espresso parallel command.""" + parsl_mpi_prefix = os.environ.get("PARSL_MPI_PREFIX") + if isinstance(v, str): v = (v, "") + if parsl_mpi_prefix: + v = (parsl_mpi_prefix, v[1]) + return v @model_validator(mode="before")