Traceback (most recent call last): File "../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 253, in aopt, eopt, info = get_lattice_constant( File "../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 97, in get_lattice_constant atoms_interacting = kim_ase_utils.check_if_atoms_interacting( File "/usr/local/lib/python3.8/dist-packages/kim_python_utils/ase/core.py", line 399, in check_if_atoms_interacting return check_if_atoms_interacting_energy(model, symbols, etol) File "/usr/local/lib/python3.8/dist-packages/kim_python_utils/ase/core.py", line 324, in check_if_atoms_interacting_energy isolated_energy_per_atom[symbols[0]] = get_isolated_energy_per_atom( File "/usr/local/lib/python3.8/dist-packages/kim_python_utils/ase/core.py", line 220, in get_isolated_energy_per_atom energy_per_atom = single_atom.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 296, in calculate self._kim_model.compute(self._compute_args, self.release_GIL) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 62, in myfunc return check_call(func, *args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 54, in check_call return f(*args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 423, in compute return self.kim_model.compute(compute_args_wrapped.compute_args, release_GIL) MemoryError: std::bad_alloc Command exited with non-zero status 1 {"realtime":2.96,"usertime":8.12,"systime":18.99,"memmax":63072,"memavg":0}