-------------------------------------------------------------------------- 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: c003 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c003 Local device: mlx5_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: c003 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: c003 Local device: mlx5_0 -------------------------------------------------------------------------- [c003:865344] *** Process received signal *** [c003:865344] Signal: Segmentation fault (11) [c003:865344] Signal code: Address not mapped (1) [c003:865344] Failing at address: 0x55af74000000 [c003:865344] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x7fab60f48090] [c003:865344] [ 1] /lib/x86_64-linux-gnu/libc.so.6(cfree+0x52)[0x7fab60f9f722] [c003:865344] [ 2] /usr/local/lib/libkim-api.so.2(_ZNSt8_Rb_treeIKN3KIM19ComputeArgumentNameESt4pairIS2_PvESt10_Select1stIS5_ENS0_21COMPUTE_ARGUMENT_NAME10ComparatorESaIS5_EE8_M_eraseEPSt13_Rb_tree_nodeIS5_E+0x2d)[0x7fab60872c3d] [c003:865344] [ 3] /usr/local/lib/libkim-api.so.2(_ZN3KIM30ComputeArgumentsImplementationD1Ev+0x38b)[0x7fab60871f3b] [c003:865344] [ 4] /usr/local/lib/libkim-api.so.2(_ZN3KIM30ComputeArgumentsImplementation7DestroyEPPS0_+0x53a)[0x7fab6087254a] [c003:865344] [ 5] /usr/local/lib/libkim-api.so.2(_ZNK3KIM19ModelImplementation23ComputeArgumentsDestroyEPPNS_16ComputeArgumentsE+0x5e2)[0x7fab6088ce82] [c003:865344] [ 6] /usr/local/lib/libkim-api.so.2(KIM_Model_ComputeArgumentsDestroy+0x3b)[0x7fab608b0d5b] [c003:865344] [ 7] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS7PairKIM8kim_freeEv+0x63)[0x7fab619e3943] [c003:865344] [ 8] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS7PairKIMD1Ev+0x14c)[0x7fab619e3b0c] [c003:865344] [ 9] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS7PairKIMD0Ev+0xd)[0x7fab619e3bfd] [c003:865344] [10] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5ForceD1Ev+0xa8)[0x7fab617d9a58] [c003:865344] [11] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5ForceD0Ev+0xd)[0x7fab617d9e1d] [c003:865344] [12] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS6LAMMPS7destroyEv+0x45)[0x7fab61820045] [c003:865344] [13] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input5clearEv+0x32)[0x7fab6180c9c2] [c003:865344] [14] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input15execute_commandEv+0x960)[0x7fab618160d0] [c003:865344] [15] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input4fileEv+0x17e)[0x7fab6181662e] [c003:865344] [16] lammps(+0x132e)[0x55af7519732e] [c003:865344] [17] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf3)[0x7fab60f29083] [c003:865344] [18] lammps(+0x13ae)[0x55af751973ae] [c003:865344] *** End of error message *** ../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner: line 234: 865344 Segmentation fault (core dumped) lammps -in output/lammps.in > output/lammps.log {"realtime":3.26,"usertime":1.66,"systime":0.46,"memmax":76452,"memavg":0}