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Ompi+omp.conf

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Revision as of 15:35, 3 February 2020 by 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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#
# 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"