diff --git a/tests/simulation/test_lammps.py b/tests/simulation/test_lammps.py index 419b24b0..cde797aa 100644 --- a/tests/simulation/test_lammps.py +++ b/tests/simulation/test_lammps.py @@ -10,7 +10,7 @@ def test_lammps_runner(cif_name, cif_dir, tmpdir): # Make a LAMMPS simulator that reads and writes to a lmprunner = LAMMPSRunner( - lammps_command=["lmp"], + lammps_command=["lmp_serial"], lmp_sims_root_path=tmpdir / "lmp_sims", lammps_environ={'OMP_NUM_THREADS': '1'} ) @@ -28,7 +28,7 @@ def test_lammps_runner(cif_name, cif_dir, tmpdir): # Make sure that it runs ret = lmprunner.invoke_lammps(lmp_path) - assert ret.returncode == 0 + assert ret.returncode == 0, Path(lmp_path).joinpath('stdout.lmp').read_text() # Test the full pipeline, forcing deletion on the end lmprunner.delete_finished = True