/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', ../../td/VacancyFormationMigration__TD_554849987965_001/runner:174: FutureWarning: `rcond` parameter will change to the default of machine precision times ``max(M, N)`` where M and N are the input matrix dimensions. To use the future default and silence this warning we advise to pass `rcond=None`, to keep using the old, explicitly pass `rcond=-1`. res = np.linalg.lstsq(A, ydata) {"realtime":261.25,"usertime":443.15,"systime":3372.50,"memmax":733216,"memavg":0}