--------------------------------------------------------------------------
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:              c001
  Local adapter:           mlx5_0
  Local port:              1

--------------------------------------------------------------------------
--------------------------------------------------------------------------
WARNING: There was an error initializing an OpenFabrics device.

  Local host:   c001
  Local device: mlx5_0
--------------------------------------------------------------------------
[c001:3597941] *** Process received signal ***
[c001:3597941] Signal: Segmentation fault (11)
[c001:3597941] Signal code:  (128)
[c001:3597941] Failing at address: (nil)
[c001:3597941] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x7f0a80d64090]
[c001:3597941] [ 1] /usr/local/lib/libtorch_cpu.so(+0x46b846e)[0x7f0a5742346e]
[c001:3597941] [ 2] /usr/local/lib/libtorch_cpu.so(+0x46b9b70)[0x7f0a57424b70]
[c001:3597941] [ 3] /usr/local/lib/libtorch_cpu.so(+0x46c71fb)[0x7f0a574321fb]
[c001:3597941] [ 4] /usr/local/lib/libtorch_cpu.so(_ZN5torch3jit16InterpreterState3runERSt6vectorIN3c106IValueESaIS4_EE+0x52)[0x7f0a5741f212]
[c001:3597941] [ 5] /usr/local/lib/libtorch_cpu.so(+0x46a71a6)[0x7f0a574121a6]
[c001:3597941] [ 6] /usr/local/lib/libtorch_cpu.so(_ZNK5torch3jit6MethodclESt6vectorIN3c106IValueESaIS4_EERKSt13unordered_mapINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES4_St4hashISD_ESt8equal_toISD_ESaISt4pairIKSD_S4_EEE+0x180)[0x7f0a57095170]
[c001:3597941] [ 7] /mmfs1/scratch/bwaters2/bwaters/job-cf4b5e57-69ab-463c-b024-a98c87bbdab2-007-61cf4618-0b81-4f1d-a777-d63ab53ce002/TE_973027833948_004-and-MO_781946209112_000-1711823179/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN12PytorchModel3RunERN3c106IValueE+0x381)[0x7f0a7c6e2fb1]
[c001:3597941] [ 8] /mmfs1/scratch/bwaters2/bwaters/job-cf4b5e57-69ab-463c-b024-a98c87bbdab2-007-61cf4618-0b81-4f1d-a777-d63ab53ce002/TE_973027833948_004-and-MO_781946209112_000-1711823179/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN32TorchMLModelDriverImplementation3RunEPKN3KIM21ModelComputeArgumentsE+0x5c)[0x7f0a7c6e0d7c]
[c001:3597941] [ 9] /mmfs1/scratch/bwaters2/bwaters/job-cf4b5e57-69ab-463c-b024-a98c87bbdab2-007-61cf4618-0b81-4f1d-a777-d63ab53ce002/TE_973027833948_004-and-MO_781946209112_000-1711823179/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN32TorchMLModelDriverImplementation7ComputeEPKN3KIM21ModelComputeArgumentsE+0xd)[0x7f0a7c6e0e3d]
[c001:3597941] [10] /mmfs1/scratch/bwaters2/bwaters/job-cf4b5e57-69ab-463c-b024-a98c87bbdab2-007-61cf4618-0b81-4f1d-a777-d63ab53ce002/TE_973027833948_004-and-MO_781946209112_000-1711823179/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN18TorchMLModelDriver7ComputeEPKN3KIM12ModelComputeEPKNS0_21ModelComputeArgumentsE+0x33)[0x7f0a7c6d88e3]
[c001:3597941] [11] /usr/local/lib/libkim-api.so.2(_ZNK3KIM19ModelImplementation12ModelComputeEPKNS_16ComputeArgumentsE+0x4a0)[0x7f0a806a8900]
[c001:3597941] [12] /usr/local/lib/libkim-api.so.2(_ZNK3KIM19ModelImplementation7ComputeEPKNS_16ComputeArgumentsE+0x667)[0x7f0a806b6e67]
[c001:3597941] [13] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS7PairKIM7computeEii+0x20d)[0x7f0a819edc2d]
[c001:3597941] [14] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS6Verlet5setupEi+0x3a2)[0x7f0a81933982]
[c001:3597941] [15] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS3Run7commandEiPPc+0xc7e)[0x7f0a818c8b8e]
[c001:3597941] [16] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc0f)[0x7f0a8174096f]
[c001:3597941] [17] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input4fileEv+0x175)[0x7f0a81740c25]
[c001:3597941] [18] lammps(+0x13fe)[0x56460cf503fe]
[c001:3597941] [19] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf3)[0x7f0a80d45083]
[c001:3597941] [20] lammps(+0x148e)[0x56460cf5048e]
[c001:3597941] *** End of error message ***
../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner: line 194: 3597941 Segmentation fault      (core dumped) lammps -in output/isolated_atom.lammps.in > output/isolated_atom.lammps.log
Error: Isolated atom energy parsed from LAMMPS is not numerical.  Check the LAMMPS log for errors.  Exiting...
Command exited with non-zero status 1

{"realtime":4.06,"usertime":2.24,"systime":0.74,"memmax":322188,"memavg":0}