-------------------------------------------------------------------------- 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: c425-003 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c425-003 Local device: hfi1_0 -------------------------------------------------------------------------- Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 194, in relax_proto_des=aflow.get_prototype(RELAX_POSCAR_PATH.format(i)) File "/work2/08773/bwaters/stampede2/bwaters/job-a64080ba-9ef8-4ac4-bdbd-32eae59a9e0f-007-6d7fc620-4bf4-44f8-b6a6-330fcfbd61fd/TE_509927321216_000-and-SM_435704953434_000-1683307235/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-a64080ba-9ef8-4ac4-bdbd-32eae59a9e0f-007-6d7fc620-4bf4-44f8-b6a6-330fcfbd61fd/TE_509927321216_000-and-SM_435704953434_000-1683307235/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":62.37,"usertime":192.65,"systime":720.79,"memmax":279436,"memavg":0}