-------------------------------------------------------------------------- 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: c401-071 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c401-071 Local device: hfi1_0 -------------------------------------------------------------------------- -------------------------------------------------------------------------- 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: c401-071 Local adapter: hfi1_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c401-071 Local device: hfi1_0 -------------------------------------------------------------------------- Failed to allocate 24688909440 bytes for array list:three_bodies[c401-071:229311] *** Process received signal *** [c401-071:229311] Signal: Segmentation fault (11) [c401-071:229311] Signal code: Address not mapped (1) [c401-071:229311] Failing at address: 0x18 [c401-071:229311] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x2b7c2486a090] [c401-071:229311] [ 1] /usr/local/lib/liblammps.so.0(_ZN6ReaxFF20Calculate_dCos_ThetaEPddS0_dPA3_dS2_S2_+0x141)[0x2b7c2438c8b1] [c401-071:229311] [ 2] /usr/local/lib/liblammps.so.0(_ZN6ReaxFF14Valence_AnglesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x7c3)[0x2b7c2438d213] [c401-071:229311] [ 3] /usr/local/lib/liblammps.so.0(_ZN6ReaxFF14Compute_ForcesEPNS_11reax_systemEPNS_14control_paramsEPNS_15simulation_dataEPNS_7storageEPPNS_9reax_listE+0x4e7)[0x2b7c24382427] [c401-071:229311] [ 4] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS10PairReaxFF7computeEii+0x123)[0x2b7c243766a3] [c401-071:229311] [ 5] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS6Verlet5setupEi+0x3b2)[0x2b7c240cef72] [c401-071:229311] [ 6] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS3Run7commandEiPPc+0xb3f)[0x2b7c24073e3f] [c401-071:229311] [ 7] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc38)[0x2b7c23f1f138] [c401-071:229311] [ 8] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input4fileEv+0x17e)[0x2b7c23f1f54e] [c401-071:229311] [ 9] lammps(+0x136e)[0x5598a208636e] [c401-071:229311] [10] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf3)[0x2b7c2484b083] [c401-071:229311] [11] lammps(+0x13ee)[0x5598a20863ee] [c401-071:229311] *** End of error message *** ../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner: line 234: 229311 Segmentation fault lammps -in output/lammps.in > output/lammps.log {"realtime":22.95,"usertime":13.51,"systime":4.21,"memmax":761316,"memavg":0}