Traceback (most recent call last): File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_004/runner", line 288, in main() File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_004/runner", line 253, in main a, c, energy = getLatticeConstant(elem, model) File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_004/runner", line 163, in getLatticeConstant cache File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_004/runner", line 119, in searchLatticeConstants xtol = FMIN_XTOL, File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 409, in fmin res = _minimize_neldermead(func, x0, args, callback=callback, **opts) File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 552, in _minimize_neldermead fsim[k] = func(sim[k]) File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 293, in function_wrapper return function(*(wrapper_args + args)) File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_004/runner", line 106, in getEnergy energy = atoms.get_potential_energy() / nAtoms File "/usr/local/lib/python2.7/dist-packages/ase/atoms.py", line 694, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/usr/local/lib/python2.7/dist-packages/ase/calculators/calculator.py", line 503, in get_potential_energy energy = self.get_property('energy', atoms) File "/usr/local/lib/python2.7/dist-packages/ase/calculators/calculator.py", line 550, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python2.7/dist-packages/ase/calculators/kim/kimmodel.py", line 558, in calculate check_error(error, 'kim_model.compute') File "/usr/local/lib/python2.7/dist-packages/ase/calculators/kim/kimmodel.py", line 726, 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":0.38,"memmax":52724,"memavg":0}