-------------------------------------------------------------------------- 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: c404-063 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c404-063 Local device: hfi1_0 -------------------------------------------------------------------------- Failed to allocate 324449280 bytes for array list:three_bodies[c404-063:22141] *** Process received signal *** [c404-063:22141] Signal: Segmentation fault (11) [c404-063:22141] Signal code: Address not mapped (1) [c404-063:22141] Failing at address: 0x18 [c404-063:22141] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x2b9489120090] [c404-063:22141] [ 1] /usr/local/lib/liblammps.so(_ZN6ReaxFF20Calculate_dCos_ThetaEPddS0_dPA3_dS2_S2_+0x141)[0x2b95a03158b1] [c404-063:22141] [ 2] /usr/local/lib/liblammps.so(_ZN6ReaxFF14Valence_AnglesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x7c3)[0x2b95a0316213] [c404-063:22141] [ 3] /usr/local/lib/liblammps.so(_ZN6ReaxFF14Compute_ForcesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x4e7)[0x2b95a030b427] [c404-063:22141] [ 4] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS10PairReaxFF7computeEii+0x123)[0x2b95a02ff6a3] [c404-063:22141] [ 5] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS6Verlet5setupEi+0x3b2)[0x2b95a0057f72] [c404-063:22141] [ 6] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS3Run7commandEiPPc+0xb3f)[0x2b959fffce3f] [c404-063:22141] [ 7] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc38)[0x2b959fea8138] [c404-063:22141] [ 8] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS5Input3oneERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE+0xa9)[0x2b959fea8cd9] [c404-063:22141] [ 9] /usr/local/lib/liblammps.so(lammps_command+0x92)[0x2b959fee6fe2] [c404-063:22141] [10] /lib/x86_64-linux-gnu/libffi.so.7(+0x6ff5)[0x2b9512e09ff5] [c404-063:22141] [11] /lib/x86_64-linux-gnu/libffi.so.7(+0x640a)[0x2b9512e0940a] [c404-063:22141] [12] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(_ctypes_callproc+0x5b6)[0x2b9512ded306] [c404-063:22141] [13] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(+0x13ae7)[0x2b9512dedae7] [c404-063:22141] [14] python3(_PyObject_MakeTpCall+0x296)[0x5f7056] [c404-063:22141] [15] python3(_PyEval_EvalFrameDefault+0x5dae)[0x57107e] [c404-063:22141] [16] python3(_PyFunction_Vectorcall+0x1b6)[0x5f6836] [c404-063:22141] [17] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c404-063:22141] [18] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c404-063:22141] [19] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c404-063:22141] [20] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c404-063:22141] [21] python3(_PyFunction_Vectorcall+0x1b6)[0x5f6836] [c404-063:22141] [22] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c404-063:22141] [23] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c404-063:22141] [24] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c404-063:22141] [25] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c404-063:22141] [26] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c404-063:22141] [27] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c404-063:22141] [28] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c404-063:22141] [29] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c404-063:22141] *** End of error message *** Segmentation fault Command exited with non-zero status 139 {"realtime":25.82,"usertime":34.40,"systime":48.63,"memmax":319368,"memavg":0}