-------------------------------------------------------------------------- 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: pd-compute-3-34 Local adapter: qib0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: pd-compute-3-34 Local device: qib0 -------------------------------------------------------------------------- -------------------------------------------------------------------------- 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: pd-compute-3-34 Local adapter: qib0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: pd-compute-3-34 Local device: qib0 -------------------------------------------------------------------------- Traceback (most recent call last): File "../../td/TriclinicPBCEnergyAndForces__TD_892847239811_003/runner", line 270, in run_lammps(infile, outfile) File "../../td/TriclinicPBCEnergyAndForces__TD_892847239811_003/runner", line 55, in run_lammps raise Exception("LAMMPS did not exit properly:\n" + extrainfo) OSError: [Errno 121] Remote I/O error Command exited with non-zero status 1 {"realtime":1.95,"usertime":0.36,"systime":0.80,"memmax":27276,"memavg":0}