* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 124:kimpy/neighlist/neighbor_list.cpp
/usr/local/lib/python3.8/dist-packages/ase/atoms.py:967: VisibleDeprecationWarning: Use get_global_number_of_atoms() instead
  warnings.warn('Use get_global_number_of_atoms() instead',
Traceback (most recent call last):
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 24, in check_call
    return f(*args, **kwargs)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/neighborlist.py", line 346, in build
    return self.neigh.build(
RuntimeError: Cell size too large! (partilces fly away) or
Collision of atoms happened!

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "../../td/VacancyFormationMigration__TD_554849987965_001/runner", line 365, in <module>
    main()
  File "../../td/VacancyFormationMigration__TD_554849987965_001/runner", line 355, in main
    res = instance.getResults()
  File "../../td/VacancyFormationMigration__TD_554849987965_001/runner", line 254, in getResults
    migrationEnergy, formationEnergy = self._getResultsForSize(size)
  File "../../td/VacancyFormationMigration__TD_554849987965_001/runner", line 135, in _getResultsForSize
    minimizer.run(fmax = C.MDMIN_TOL, steps = C.MDMIN_MAX_STEPS)
  File "/usr/local/lib/python3.8/dist-packages/ase/optimize/optimize.py", line 269, in run
    return Dynamics.run(self)
  File "/usr/local/lib/python3.8/dist-packages/ase/optimize/optimize.py", line 156, in run
    for converged in Dynamics.irun(self):
  File "/usr/local/lib/python3.8/dist-packages/ase/optimize/optimize.py", line 143, in irun
    self.log()
  File "/usr/local/lib/python3.8/dist-packages/ase/optimize/optimize.py", line 283, in log
    forces = self.atoms.get_forces()
  File "/usr/local/lib/python3.8/dist-packages/ase/neb.py", line 688, in get_forces
    forces = super().get_forces()
  File "/usr/local/lib/python3.8/dist-packages/ase/neb.py", line 405, in get_forces
    energies[i] = images[i].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 258, in calculate
    self.update_neigh(atoms, self.species_map)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/neighborlist.py", line 425, in update
    self.build()
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 32, in myfunc
    return check_call(func, *args, **kwargs)
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 26, in check_call
    raise KimpyError(f'Calling kimpy function "{f.__name__}" failed:\n  {str(e)}')
ase.calculators.kim.exceptions.KimpyError: Calling kimpy function "build" failed:
  Cell size too large! (partilces fly away) or
Collision of atoms happened!
Command exited with non-zero status 1

{"realtime":5.81,"usertime":5.31,"systime":11.68,"memmax":215460,"memavg":0}