-------------------------------------------------------------------------- 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: c450-093 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c450-093 Local device: hfi1_0 -------------------------------------------------------------------------- Failed to allocate 158934644928 bytes for array list:three_bodies[c450-093:109785] *** Process received signal *** [c450-093:109785] Signal: Segmentation fault (11) [c450-093:109785] Signal code: Address not mapped (1) [c450-093:109785] Failing at address: 0x18 [c450-093:109785] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x2b40ef3ac090] [c450-093:109785] [ 1] /usr/local/lib/liblammps.so(_ZN6ReaxFF20Calculate_dCos_ThetaEPddS0_dPA3_dS2_S2_+0x141)[0x2b410adf98b1] [c450-093:109785] [ 2] /usr/local/lib/liblammps.so(_ZN6ReaxFF14Valence_AnglesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x7c3)[0x2b410adfa213] [c450-093:109785] [ 3] /usr/local/lib/liblammps.so(_ZN6ReaxFF14Compute_ForcesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x4e7)[0x2b410adef427] [c450-093:109785] [ 4] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS10PairReaxFF7computeEii+0x123)[0x2b410ade36a3] [c450-093:109785] [ 5] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS6Verlet5setupEi+0x3b2)[0x2b410ab3bf72] [c450-093:109785] [ 6] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS3Run7commandEiPPc+0xb3f)[0x2b410aae0e3f] [c450-093:109785] [ 7] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc38)[0x2b410a98c138] [c450-093:109785] [ 8] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS5Input3oneERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE+0xa9)[0x2b410a98ccd9] [c450-093:109785] [ 9] /usr/local/lib/liblammps.so(lammps_command+0x92)[0x2b410a9cafe2] [c450-093:109785] [10] /lib/x86_64-linux-gnu/libffi.so.7(+0x6ff5)[0x2b4178dfeff5] [c450-093:109785] [11] /lib/x86_64-linux-gnu/libffi.so.7(+0x640a)[0x2b4178dfe40a] [c450-093:109785] [12] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(_ctypes_callproc+0x5b6)[0x2b40f00b5306] [c450-093:109785] [13] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(+0x13ae7)[0x2b40f00b5ae7] [c450-093:109785] [14] python3(_PyObject_MakeTpCall+0x296)[0x5f7056] [c450-093:109785] [15] python3(_PyEval_EvalFrameDefault+0x5dae)[0x57107e] [c450-093:109785] [16] python3(_PyFunction_Vectorcall+0x1b6)[0x5f6836] [c450-093:109785] [17] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c450-093:109785] [18] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c450-093:109785] [19] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c450-093:109785] [20] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c450-093:109785] [21] python3(_PyFunction_Vectorcall+0x1b6)[0x5f6836] [c450-093:109785] [22] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c450-093:109785] [23] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c450-093:109785] [24] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c450-093:109785] [25] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c450-093:109785] [26] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c450-093:109785] [27] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c450-093:109785] [28] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c450-093:109785] [29] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c450-093:109785] *** End of error message *** Segmentation fault Command exited with non-zero status 139 {"realtime":14.69,"usertime":14.24,"systime":29.13,"memmax":1894792,"memavg":0}