-------------------------------------------------------------------------- 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: c402-002 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c402-002 Local device: hfi1_0 -------------------------------------------------------------------------- -------------------------------------------------------------------------- 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: c402-002 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c402-002 Local device: hfi1_0 -------------------------------------------------------------------------- Traceback (most recent call last): File "../../td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003/runner", line 101, in thetas, relaxed_energies, minimum_distances, sigmas = compute_gb_tilt_energy( File "/work2/08773/bwaters/stampede2/bwaters/job-98cdd157-c37a-47a3-8f96-00f2d55c5631-007-e789742d-797d-4b44-b07a-44b1183efa78/TE_568499993431_001-and-SM_769176993156_000-1666132858/staged_job_files/repository/td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003/compute_gb_tilt_energy.py", line 473, in compute_gb_tilt_energy raise RuntimeError( RuntimeError: Error: LAMMPS did not generate a dump file -- something probably went wrong. Command exited with non-zero status 1 {"realtime":6.89,"usertime":7.43,"systime":20.35,"memmax":45512,"memavg":0}