--------------------------------------------------------------------------
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:              c401-104
  Local adapter:           hfi1_0
  Local port:              1

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

  Local host:   c401-104
  Local device: hfi1_0
--------------------------------------------------------------------------
Traceback (most recent call last):
  File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 156, in <module>
  File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 30, in get_forces
  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/lammpslib.py", line 356, in calculate
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 377, in propagate
  File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 635, in start_lammps
  File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 581, in command
  File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 49, in __exit__
Exception: ERROR: Unable to load KIM Simulator Model (src/KIM/kim_init.cpp:276)
Command exited with non-zero status 1

{"realtime":18.04,"usertime":23.35,"systime":32.08,"memmax":144012,"memavg":0}