Error in using lammps kokkos package for reax/c on gpu

Your command line invocation of Kokkos looks fine. What MPI are you using? Are you using the same MPI version to run as you used to compile with?


Thanks for the reply. I am using MPICH Version: 3.2 which is installed in /opt/mpich directory. I used this as the default “MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1” in the makefile, Makefile.kokkos_cuda_mpich. Do I need to specify the variables, MPI_INC, MPI_PATH and MPI_LIB and compile LAMMPS again ?