Ompi+omp.conf
Appearance
# # define the commands that run vasp_std, vasp_ncl, and vasp_gam # kmp="-x KMP_AFFINITY=verbose,granularity=fine,compact,1,0 -x KMP_STACKSIZE=512m" nthrds=4 nranks=2 mpi="--map-by node:PE=$nthrds --bind-to core" omp="-x OMP_NUM_THREADS=$nthrds" export VASP_TESTSUITE_EXE_STD="mpirun -np $nranks $kmp $mpi $omp $PWD/../bin/vasp_std" export VASP_TESTSUITE_EXE_NCL="mpirun -np $nranks $kmp $mpi $omp $PWD/../bin/vasp_ncl" export VASP_TESTSUITE_EXE_GAM="mpirun -np $nranks $kmp $mpi $omp $PWD/../bin/vasp_gam"