-------------------------------------------------------------------------- By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default. The intent is to use UCX for these devices. You can override this policy by setting the btl_openib_allow_ib MCA parameter to true. Local host: c002 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c002 Local device: mlx5_0 -------------------------------------------------------------------------- /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":3231.11,"usertime":3835.03,"systime":19300.86,"memmax":61446336,"memavg":0}