Traceback (most recent call last): File "/usr/local/lib/python3.10/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 101, in check_call return f(*args, **kwargs) File "/usr/local/lib/python3.10/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 467, in compute return self.kim_model.compute( RuntimeError: the model does not provide an Extension routine! or the model's Extension routine returns error! During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/scratch.global/bwaters/jobs/7266047f-bc17-42ee-9789-ce4435244f3e-007/TE_307953144667_003-and-MO_143977152728_005-1754493182/staged_job_files/repository/te/EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_003/../../td/EquilibriumCrystalStructure__TD_457028483760_003/runner", line 58, in test( File "/usr/local/lib/python3.10/dist-packages/kim_tools/test_driver/core.py", line 575, in __call__ self._setup(material, **kwargs) File "/usr/local/lib/python3.10/dist-packages/kim_tools/test_driver/core.py", line 1328, in _setup force_max = np.max(atoms_tmp.get_forces()) File "/usr/local/lib/python3.10/dist-packages/ase/atoms.py", line 829, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.10/dist-packages/ase/calculators/abc.py", line 32, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.10/dist-packages/ase/calculators/calculator.py", line 515, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.10/dist-packages/ase/calculators/kim/kimmodel.py", line 298, in calculate self._kim_model.compute(self._compute_args, self.release_GIL) File "/usr/local/lib/python3.10/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 110, in myfunc return check_call(func, *args, **kwargs) File "/usr/local/lib/python3.10/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 103, in check_call raise KimpyError( ase.calculators.kim.exceptions.KimpyError: Calling kimpy function "compute" failed: the model does not provide an Extension routine! or the model's Extension routine returns error! Command exited with non-zero status 1 {"realtime":8.20,"usertime":3.11,"systime":1.28,"memmax":265096,"memavg":0}