--------------------------------------------------------------------------
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 178, in <module>
  File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 1973, in write
    write(filename, self, format, **kwargs)
  File "/usr/local/lib/python3.8/dist-packages/ase/io/formats.py", line 665, in write
    return _write(filename, fd, format, io, images,
  File "/usr/local/lib/python3.8/dist-packages/ase/parallel.py", line 254, in new_func
    return func(*args, **kwargs)
  File "/usr/local/lib/python3.8/dist-packages/ase/io/formats.py", line 698, in _write
    fd = open_with_compression(filename, mode)
  File "/usr/local/lib/python3.8/dist-packages/ase/io/formats.py", line 588, in open_with_compression
    return open(filename, mode)
MemoryError
Command exited with non-zero status 1

{"realtime":29.47,"usertime":37.58,"systime":50.68,"memmax":219236,"memavg":0}