Ompi+omp.conf: Difference between revisions
Vaspmaster (talk | contribs) (Created page with "<pre> # # 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...") |
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Latest revision as of 15:35, 3 February 2020
# # 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"