Traceback (most recent call last): File "/disk2/worker/repository/td/ElasticConstantsHexagonal__TD_612503193866_004/runner", line 190, in results = bulkmodulus.results() File "/disk2/worker/repository/td/ElasticConstantsHexagonal__TD_612503193866_004/runner", line 108, in results elastic_constants, info = hess(np.zeros(6, dtype=float)) File "/usr/local/lib/python3.6/dist-packages/numdifftools/core.py", line 833, in __call__ return super(Hessdiag, self).__call__(np.atleast_1d(x), *args, **kwds) File "/usr/local/lib/python3.6/dist-packages/numdifftools/core.py", line 317, in __call__ results = self._derivative(xi, args, kwds) File "/usr/local/lib/python3.6/dist-packages/numdifftools/core.py", line 202, in _derivative_nonzero_order results = [diff(f, fxi, xi, h) for h in steps] File "/usr/local/lib/python3.6/dist-packages/numdifftools/core.py", line 202, in results = [diff(f, fxi, xi, h) for h in steps] File "/usr/local/lib/python3.6/dist-packages/numdifftools/core.py", line 964, in _central_even + f(x - ee[i, :] - ee[j, :])) / (4. * hess[j, i]) File "/usr/local/lib/python3.6/dist-packages/numdifftools/core.py", line 266, in export_fun return fun(x, *args, **kwds) File "/disk2/worker/repository/td/ElasticConstantsHexagonal__TD_612503193866_004/runner", line 81, in energy_from_strain energy = self.slab.get_potential_energy() File "/usr/local/lib/python3.6/dist-packages/ase/atoms.py", line 674, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/usr/local/lib/python3.6/dist-packages/ase/calculators/calculator.py", line 618, in get_potential_energy energy = self.get_property('energy', atoms) File "/usr/local/lib/python3.6/dist-packages/ase/calculators/calculator.py", line 668, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.6/dist-packages/ase/calculators/kim/kimmodel.py", line 576, in calculate check_error(error, "kim_model.compute") File "/usr/local/lib/python3.6/dist-packages/ase/calculators/kim/kimmodel.py", line 755, in check_error raise KIMCalculatorError('Calling "{}" failed.\n'.format(msg)) ase.calculators.kim.exceptions.KIMCalculatorError: Calling "kim_model.compute" failed. Command exited with non-zero status 1 {"usertime":0.40,"memmax":62504,"memavg":0}