-------------------------------------------------------------------------- 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: acn54 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: acn54 Local device: mlx5_0 -------------------------------------------------------------------------- [acn54:2307046] *** Process received signal *** [acn54:2307046] Signal: Segmentation fault (11) [acn54:2307046] Signal code: Address not mapped (1) [acn54:2307046] Failing at address: 0x3e58000 [acn54:2307046] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x7f27a42c7090] [acn54:2307046] [ 1] /usr/local/lib/python3.8/dist-packages/lammps/liblammps.so(_ZN9LAMMPS_NS10PairReaxFF11set_far_nbrEPN6ReaxFF17far_neighbor_dataEidPd+0x19)[0x7f275a0d4579] [acn54:2307046] [ 2] /usr/local/lib/python3.8/dist-packages/lammps/liblammps.so(_ZN9LAMMPS_NS10PairReaxFF16write_reax_listsEv+0x221)[0x7f275a0d4991] [acn54:2307046] [ 3] /usr/local/lib/python3.8/dist-packages/lammps/liblammps.so(_ZN9LAMMPS_NS10PairReaxFF7computeEii+0xfd)[0x7f275a0d50ad] [acn54:2307046] [ 4] /usr/local/lib/python3.8/dist-packages/lammps/liblammps.so(_ZN9LAMMPS_NS6Verlet5setupEi+0x3a2)[0x7f2759d7c982] [acn54:2307046] [ 5] /usr/local/lib/python3.8/dist-packages/lammps/liblammps.so(_ZN9LAMMPS_NS3Run7commandEiPPc+0xc7e)[0x7f2759d11b8e] [acn54:2307046] [ 6] /usr/local/lib/python3.8/dist-packages/lammps/liblammps.so(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc0f)[0x7f2759b8996f] [acn54:2307046] [ 7] /usr/local/lib/python3.8/dist-packages/lammps/liblammps.so(_ZN9LAMMPS_NS5Input3oneERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE+0xa0)[0x7f2759b8a460] [acn54:2307046] [ 8] /usr/local/lib/python3.8/dist-packages/lammps/liblammps.so(lammps_command+0x92)[0x7f2759bc8892] [acn54:2307046] [ 9] /lib/x86_64-linux-gnu/libffi.so.7(+0x6ff5)[0x7f276ee19ff5] [acn54:2307046] [10] /lib/x86_64-linux-gnu/libffi.so.7(+0x640a)[0x7f276ee1940a] [acn54:2307046] [11] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(_ctypes_callproc+0x5b6)[0x7f276ee38306] [acn54:2307046] [12] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(+0x13ae7)[0x7f276ee38ae7] [acn54:2307046] [13] python3(_PyObject_MakeTpCall+0x296)[0x5d6066] [acn54:2307046] [14] python3(_PyEval_EvalFrameDefault+0x6329)[0x54ce69] [acn54:2307046] [15] python3(_PyFunction_Vectorcall+0x1b6)[0x5d5846] [acn54:2307046] [16] python3(_PyEval_EvalFrameDefault+0x907)[0x547447] [acn54:2307046] [17] python3(_PyEval_EvalCodeWithName+0x26a)[0x54552a] [acn54:2307046] [18] python3(_PyFunction_Vectorcall+0x393)[0x5d5a23] [acn54:2307046] [19] python3(_PyEval_EvalFrameDefault+0x907)[0x547447] [acn54:2307046] [20] python3(_PyFunction_Vectorcall+0x1b6)[0x5d5846] [acn54:2307046] [21] python3(_PyEval_EvalFrameDefault+0x907)[0x547447] [acn54:2307046] [22] python3(_PyEval_EvalCodeWithName+0x26a)[0x54552a] [acn54:2307046] [23] python3(_PyFunction_Vectorcall+0x393)[0x5d5a23] [acn54:2307046] [24] python3(_PyEval_EvalFrameDefault+0x907)[0x547447] [acn54:2307046] [25] python3(_PyEval_EvalCodeWithName+0x26a)[0x54552a] [acn54:2307046] [26] python3(_PyFunction_Vectorcall+0x393)[0x5d5a23] [acn54:2307046] [27] python3(_PyEval_EvalFrameDefault+0x907)[0x547447] [acn54:2307046] [28] python3(_PyEval_EvalCodeWithName+0x26a)[0x54552a] [acn54:2307046] [29] python3(_PyFunction_Vectorcall+0x393)[0x5d5a23] [acn54:2307046] *** End of error message *** Segmentation fault Command exited with non-zero status 139 {"realtime":13.40,"usertime":4.13,"systime":8.11,"memmax":177284,"memavg":0}