--------------------------------------------------------------------------
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:              pd-compute-3-40
  Local adapter:           qib0
  Local port:              1

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

  Local host:   pd-compute-3-40
  Local device: qib0
--------------------------------------------------------------------------
Traceback (most recent call last):
  File "../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner", line 458, in <module>
    a, c, cohesive_energy = get_lattice_constant(symbol, model, maxiter=500)
  File "../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner", line 385, in get_lattice_constant
    raise RuntimeError(
RuntimeError: Lattice converged to a = 2.7657379077436364 Angstroms and c = 2.2087975168380223 Angstroms (c/a = 0.798629). The model cutoff computed was 2.2000000012293843 Angstroms.  Since a > model_cutoff, the minimization has converged to a state where there are no longer intralayer forces, indicating the lattice is unstable.
Command exited with non-zero status 1

{"realtime":14.11,"usertime":14.65,"systime":26.18,"memmax":88452,"memavg":0}