-------------------------------------------------------------------------- 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: c402-132 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c402-132 Local device: hfi1_0 -------------------------------------------------------------------------- Failed to allocate 59207040 bytes for array list:bondsFailed to allocate 64512768 bytes for array list:three_bodies[c402-132:116209] *** Process received signal *** [c402-132:116209] Signal: Segmentation fault (11) [c402-132:116209] Signal code: Address not mapped (1) [c402-132:116209] Failing at address: (nil) [c402-132:116209] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x2ac0641e7090] [c402-132:116209] [ 1] /usr/local/lib/liblammps.so(_ZN6ReaxFF3BOpEPNS_7storageEPNS_9reax_listEdiiPNS_17far_neighbor_dataEPNS_22single_body_parametersES7_PNS_19two_body_parametersE+0xff)[0x2ac17b3cae7f] [c402-132:116209] [ 2] /usr/local/lib/liblammps.so(_ZN6ReaxFF14Compute_ForcesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x29e)[0x2ac17b3d21de] [c402-132:116209] [ 3] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS10PairReaxFF7computeEii+0x123)[0x2ac17b3c66a3] [c402-132:116209] [ 4] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS6Verlet5setupEi+0x3b2)[0x2ac17b11ef72] [c402-132:116209] [ 5] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS3Run7commandEiPPc+0xb3f)[0x2ac17b0c3e3f] [c402-132:116209] [ 6] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc38)[0x2ac17af6f138] [c402-132:116209] [ 7] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS5Input3oneERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE+0xa9)[0x2ac17af6fcd9] [c402-132:116209] [ 8] /usr/local/lib/liblammps.so(lammps_command+0x92)[0x2ac17afadfe2] [c402-132:116209] [ 9] /lib/x86_64-linux-gnu/libffi.so.7(+0x6ff5)[0x2ac0eded0ff5] [c402-132:116209] [10] /lib/x86_64-linux-gnu/libffi.so.7(+0x640a)[0x2ac0eded040a] [c402-132:116209] [11] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(_ctypes_callproc+0x5b6)[0x2ac0edeb4306] [c402-132:116209] [12] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(+0x13ae7)[0x2ac0edeb4ae7] [c402-132:116209] [13] python3(_PyObject_MakeTpCall+0x296)[0x5f7056] [c402-132:116209] [14] python3(_PyEval_EvalFrameDefault+0x5dae)[0x57107e] [c402-132:116209] [15] python3(_PyFunction_Vectorcall+0x1b6)[0x5f6836] [c402-132:116209] [16] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c402-132:116209] [17] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c402-132:116209] [18] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c402-132:116209] [19] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c402-132:116209] [20] python3(_PyFunction_Vectorcall+0x1b6)[0x5f6836] [c402-132:116209] [21] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c402-132:116209] [22] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c402-132:116209] [23] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c402-132:116209] [24] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c402-132:116209] [25] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c402-132:116209] [26] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c402-132:116209] [27] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c402-132:116209] [28] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c402-132:116209] [29] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c402-132:116209] *** End of error message *** Segmentation fault Command exited with non-zero status 139 {"realtime":100.75,"usertime":107.74,"systime":61.92,"memmax":187328,"memavg":0}