Traceback (most recent call last): File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 290, in main() File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 255, in main a, c, energy = getLatticeConstant(elem, model) File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 163, in getLatticeConstant cache File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 119, in searchLatticeConstants xtol = FMIN_XTOL, File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 408, in fmin res = _minimize_neldermead(func, x0, args, callback=callback, **opts) File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 532, in _minimize_neldermead fsim[k] = func(sim[k]) File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 292, in function_wrapper return function(*(wrapper_args + args)) File "/disk2/worker/repository/td/LatticeConstantHexagonalEnergy__TD_942334626465_003/runner", line 106, in getEnergy energy = atoms.get_potential_energy() / nAtoms File "/usr/local/lib/python2.7/dist-packages/ase/atoms.py", line 681, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/usr/local/lib/python2.7/dist-packages/ase/calculators/calculator.py", line 414, in get_potential_energy energy = self.get_property('energy', atoms) File "/usr/local/lib/python2.7/dist-packages/ase/calculators/calculator.py", line 459, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python2.7/dist-packages/kimpy/calculator.py", line 313, in calculate raise KIMError('km.model_compute') kimpy.calculator.KIMError: Calling kimpy KIM API function failed: km.model_compute Command exited with non-zero status 1 {"usertime":0.15,"memmax":65624,"memavg":0}