diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index 926454ee..54dd0f20 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -4,9 +4,11 @@ on: push: branches: - "main" + - "0-1-x" pull_request: branches: - "main" + - "0-1-x" schedule: - cron: "0 0 * * *" diff --git a/openff/bespokefit/optimizers/forcebalance/forcebalance.py b/openff/bespokefit/optimizers/forcebalance/forcebalance.py index 68aa75cc..79821b2b 100644 --- a/openff/bespokefit/optimizers/forcebalance/forcebalance.py +++ b/openff/bespokefit/optimizers/forcebalance/forcebalance.py @@ -168,6 +168,14 @@ def _read_output(cls, root_directory) -> Dict[str, Any]: result = {"error": None} + try: + with open(os.path.join(root_directory, "optimize.err")) as err: + errlog = err.read() + if "Traceback" in errlog: + raise ValueError(f"ForceBalance job failed: {errlog}") + except IOError: + pass + with open(os.path.join(root_directory, "optimize.out")) as log: for line in log.readlines():