--------------------------------------------------------------------------
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:              acn40
  Local adapter:           mlx5_0
  Local port:              1

--------------------------------------------------------------------------
--------------------------------------------------------------------------
WARNING: There was an error initializing an OpenFabrics device.

  Local host:   acn40
  Local device: mlx5_0
--------------------------------------------------------------------------
/usr/local/lib/python3.8/dist-packages/ase/optimize/lbfgs.py:188: RuntimeWarning: divide by zero encountered in scalar divide
  rho0 = 1.0 / np.dot(y0, s0)
/usr/local/lib/python3.8/dist-packages/ase/optimize/lbfgs.py:134: RuntimeWarning: invalid value encountered in scalar multiply
  a[i] = rho[i] * np.dot(s[i], q)

{"realtime":72378.52,"usertime":21392.76,"systime":68152.21,"memmax":157728,"memavg":0}