Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 161, in File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 161, in File "/usr/local/lib/python3.8/dist-packages/kim_python_utils/ase/core.py", line 220, in get_isolated_energy_per_atom File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 730, in get_potential_energy File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 24, in get_potential_energy File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 500, in get_property File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimmodel.py", line 298, in calculate File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 63, 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 435, in compute return self.kim_model.compute( MemoryError: std::bad_alloc Command exited with non-zero status 1 {"realtime":19.53,"usertime":27.52,"systime":35.57,"memmax":96220,"memavg":0}