Traceback (most recent call last): File "/disk2/worker/repository/td/LatticeConstantCubicEnergy__TD_475411767977_006/runner", line 192, in aopt, eopt, info = get_lattice_constant(model=model, symbol=symbol, lattice=lattice) File "/disk2/worker/repository/td/LatticeConstantCubicEnergy__TD_475411767977_006/runner", line 160, in get_lattice_constant rescale_to_get_nonzero_forces(dummylattice, ftol=0.01) File "/disk2/worker/repository/td/LatticeConstantCubicEnergy__TD_475411767977_006/runner", line 81, in rescale_to_get_nonzero_forces forces = atoms.get_forces() # get max force File "/usr/local/lib/python2.7/dist-packages/ase/atoms.py", line 744, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python2.7/dist-packages/ase/calculators/calculator.py", line 517, in get_forces return self.get_property('forces', 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/lammpslib.py", line 336, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python2.7/dist-packages/ase/calculators/lammpslib.py", line 425, in propagate self.lmp.command('run %d' % n_steps) File "/usr/local/lib/python2.7/dist-packages/lammps.py", line 249, in command raise Exception(error_msg) Exception: ERROR: Cannot use neighbor bins - box size << cutoff (src/nbin_standard.cpp:136) Command exited with non-zero status 1 {"usertime":5.30,"memmax":359012,"memavg":0}