problems with simulation of thermal degradation

Max,

You are missing the command line option “-k on” which turns the Kokkos package on. Please take a look at docs: http://lammps.sandia.gov/doc/accelerate_kokkos.html. Here is the recommended invocation for CPUs on a single thread:

./lmp_kokkos_mpi_only -in in.lmp -k on -sf kk -pk kokkos neigh half newton on comm no

Stan