-------------------------------------------------------------------------- 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: c401-134 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c401-134 Local device: hfi1_0 -------------------------------------------------------------------------- Failed to allocate 75037906560 bytes for array list:three_bodies[c401-134:226201] *** Process received signal *** [c401-134:226201] Signal: Segmentation fault (11) [c401-134:226201] Signal code: Address not mapped (1) [c401-134:226201] Failing at address: 0x18 [c401-134:226201] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x2b38dde10090] [c401-134:226201] [ 1] /usr/local/lib/liblammps.so(_ZN6ReaxFF20Calculate_dCos_ThetaEPddS0_dPA3_dS2_S2_+0x141)[0x2b39f1e838b1] [c401-134:226201] [ 2] /usr/local/lib/liblammps.so(_ZN6ReaxFF14Valence_AnglesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x7c3)[0x2b39f1e84213] [c401-134:226201] [ 3] /usr/local/lib/liblammps.so(_ZN6ReaxFF14Compute_ForcesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x4e7)[0x2b39f1e79427] [c401-134:226201] [ 4] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS10PairReaxFF7computeEii+0x123)[0x2b39f1e6d6a3] [c401-134:226201] [ 5] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS6Verlet5setupEi+0x3b2)[0x2b39f1bc5f72] [c401-134:226201] [ 6] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS3Run7commandEiPPc+0xb3f)[0x2b39f1b6ae3f] [c401-134:226201] [ 7] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc38)[0x2b39f1a16138] [c401-134:226201] [ 8] /usr/local/lib/liblammps.so(_ZN9LAMMPS_NS5Input3oneERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE+0xa9)[0x2b39f1a16cd9] [c401-134:226201] [ 9] /usr/local/lib/liblammps.so(lammps_command+0x92)[0x2b39f1a54fe2] [c401-134:226201] [10] /lib/x86_64-linux-gnu/libffi.so.7(+0x6ff5)[0x2b3967ddbff5] [c401-134:226201] [11] /lib/x86_64-linux-gnu/libffi.so.7(+0x640a)[0x2b3967ddb40a] [c401-134:226201] [12] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(_ctypes_callproc+0x5b6)[0x2b3967dc5306] [c401-134:226201] [13] /usr/lib/python3.8/lib-dynload/_ctypes.cpython-38-x86_64-linux-gnu.so(+0x13ae7)[0x2b3967dc5ae7] [c401-134:226201] [14] python3(_PyObject_MakeTpCall+0x296)[0x5f7056] [c401-134:226201] [15] python3(_PyEval_EvalFrameDefault+0x5dae)[0x57107e] [c401-134:226201] [16] python3(_PyFunction_Vectorcall+0x1b6)[0x5f6836] [c401-134:226201] [17] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c401-134:226201] [18] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c401-134:226201] [19] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c401-134:226201] [20] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c401-134:226201] [21] python3(_PyFunction_Vectorcall+0x1b6)[0x5f6836] [c401-134:226201] [22] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c401-134:226201] [23] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c401-134:226201] [24] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c401-134:226201] [25] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c401-134:226201] [26] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c401-134:226201] [27] python3(_PyFunction_Vectorcall+0x393)[0x5f6a13] [c401-134:226201] [28] python3(_PyEval_EvalFrameDefault+0x90f)[0x56bbdf] [c401-134:226201] [29] python3(_PyEval_EvalCodeWithName+0x26a)[0x569cea] [c401-134:226201] *** End of error message *** Segmentation fault Command exited with non-zero status 139 {"realtime":16.48,"usertime":16.85,"systime":36.24,"memmax":1654464,"memavg":0}