-------------------------------------------------------------------------- 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: c407-002 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c407-002 Local device: hfi1_0 -------------------------------------------------------------------------- Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 202, in (libproto,shortname)=aflow.get_library_prototype_label_and_shortname(RELAX_POSCAR_PATH.format(i),shortnames) File "/work2/08773/bwaters/stampede2/bwaters/job-50af512b-3519-4b58-b00c-b598283c1321-007-a0641f32-b97a-47c9-af5e-579021f9ac35/TE_939583133718_000-and-SM_652425777808_001-1683310096/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 382, in get_library_prototype_label_and_shortname comparison_results = self.compare_to_prototypes(poscar_file) File "/work2/08773/bwaters/stampede2/bwaters/job-50af512b-3519-4b58-b00c-b598283c1321-007-a0641f32-b97a-47c9-af5e-579021f9ac35/TE_939583133718_000-and-SM_652425777808_001-1683310096/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 339, in compare_to_prototypes output = self.aflow_command([ File "/work2/08773/bwaters/stampede2/bwaters/job-50af512b-3519-4b58-b00c-b598283c1321-007-a0641f32-b97a-47c9-af5e-579021f9ac35/TE_939583133718_000-and-SM_652425777808_001-1683310096/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 493, in run with Popen(*popenargs, **kwargs) as process: File "/usr/lib/python3.8/subprocess.py", line 858, in __init__ self._execute_child(args, executable, preexec_fn, close_fds, File "/usr/lib/python3.8/subprocess.py", line 1639, in _execute_child self.pid = _posixsubprocess.fork_exec( OSError: [Errno 12] Cannot allocate memory Command exited with non-zero status 1 {"realtime":44.07,"usertime":55.92,"systime":70.35,"memmax":143648,"memavg":0}