--------------------------------------------------------------------------
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:              c405-051
  Local adapter:           hfi1_0
  Local port:              1

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

  Local host:   c405-051
  Local device: hfi1_0
--------------------------------------------------------------------------
Traceback (most recent call last):
  File "/work2/08773/bwaters/stampede2/bwaters/job-9438b3f3-f355-4c9f-a37e-2bc13549cec5-007-2506b3a0-d232-4d74-aa94-ad5d99308924/TE_105933994061_000-and-SM_853967355976_000-1680547164/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 267, in aflow_command
    return subprocess.check_output(cmd_str, shell=True, stderr=subprocess.PIPE,encoding="utf-8")
  File "/usr/lib/python3.8/subprocess.py", line 415, in check_output
    return run(*popenargs, stdout=PIPE, timeout=timeout, check=True,
  File "/usr/lib/python3.8/subprocess.py", line 516, in run
    raise CalledProcessError(retcode, process.args,
subprocess.CalledProcessError: Command 'aflow --np=1 --prototype --print=json <compare/0' returned non-zero exit status 32.

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 194, in <module>
    relax_proto_des=aflow.get_prototype(RELAX_POSCAR_PATH.format(i))
  File "/work2/08773/bwaters/stampede2/bwaters/job-9438b3f3-f355-4c9f-a37e-2bc13549cec5-007-2506b3a0-d232-4d74-aa94-ad5d99308924/TE_105933994061_000-and-SM_853967355976_000-1680547164/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 361, in get_prototype
    output=self.aflow_command([command])
  File "/work2/08773/bwaters/stampede2/bwaters/job-9438b3f3-f355-4c9f-a37e-2bc13549cec5-007-2506b3a0-d232-4d74-aa94-ad5d99308924/TE_105933994061_000-and-SM_853967355976_000-1680547164/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 272, in aflow_command
    raise RuntimeError("ERROR: unexpected error from aflow command %s , error code = %d\nstderr: %s" % (cmd_str, exc.returncode, exc.stderr))
RuntimeError: ERROR: unexpected error from aflow command aflow --np=1 --prototype --print=json <compare/0 , error code = 32
stderr: EEEEE  ---------------------------------------------------------------------------------------------------------------------------- 
EEEEE  ERROR pflow::getSymmetryTolerance(): ERROR 32 in pflow::getSymmetryTolerance():: Value Error (out of range) - [dir=/work2/08773/bwaters/stampede2/bwaters/job-9438b3f3-f355-4c9f-a37e-2bc13549cec5-007-2506b3a0-d232-4d74-aa94-ad5d99308924/TE_105933994061_000-and-SM_853967355976_000-1680547164/staged_job_files/repository/te/EquilibriumCrystalStructure_A2B3_mC10_12_i_ai_AlO__TE_105933994061_000/] - [user=bwaters] - [host=c405-051.stampede2.tacc.utexas.edu] - [PID=102007] - [date=Mon Apr  3 20:58:27 2023] - [aflow_pflow_funcs.cpp]
EEEEE  ERROR pflow::getSymmetryTolerance(): Tolerance cannot be zero (i.e. less than 1e-10): tol=1.11382e-12. - [dir=/work2/08773/bwaters/stampede2/bwaters/job-9438b3f3-f355-4c9f-a37e-2bc13549cec5-007-2506b3a0-d232-4d74-aa94-ad5d99308924/TE_105933994061_000-and-SM_853967355976_000-1680547164/staged_job_files/repository/te/EquilibriumCrystalStructure_A2B3_mC10_12_i_ai_AlO__TE_105933994061_000/] - [user=bwaters] - [host=c405-051.stampede2.tacc.utexas.edu] - [PID=102007] - [date=Mon Apr  3 20:58:27 2023] - [aflow_pflow_funcs.cpp]
EEEEE  ---------------------------------------------------------------------------------------------------------------------------- 

Command exited with non-zero status 1

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