Traceback (most recent call last): File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 54, in check_call return f(*args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 423, in compute return self.kim_model.compute(compute_args_wrapped.compute_args, release_GIL) 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 "../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 253, in aopt, eopt, info = get_lattice_constant( File "../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 186, in get_lattice_constant kim_ase_utils.rescale_to_get_nonzero_energy( File "/usr/local/lib/python3.8/dist-packages/kim_python_utils/ase/core.py", line 289, in rescale_to_get_nonzero_energy energy = atoms.get_potential_energy() File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 731, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 709, in get_potential_energy energy = self.get_property('energy', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimmodel.py", line 296, in calculate self._kim_model.compute(self._compute_args, self.release_GIL) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 62, in myfunc return check_call(func, *args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 56, in check_call raise KimpyError(f'Calling kimpy function "{f.__name__}" failed:\n {str(e)}') 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":7.88,"usertime":12.89,"systime":19.16,"memmax":129124,"memavg":0}