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Quantum Espresso Compilation
21.09.2012
15:46
Раздел: Development

On ACS02 (Opteron CPU)

./configure --enable-parallel --disable-openmp --disable-cuda BLAS_LIBS="-Wl,--start-group /opt/acml4.4.0/gfortran64/lib/libacml.a /opt/acml4.4.0/gfortran64/lib/libacml_mv.a -Wl,--end-group" LAPACK_LIBS=" " MPIF90="mpif90.mpich-shmem"

make -j4 pwall

or

./configure --enable-parallel --disable-openmp --disable-cuda BLAS_LIBS="-Wl,--start-group /opt/acml4.4.0/gfortran64/lib/libacml.a /opt/acml4.4.0/gfortran64/lib/libacml_mv.a -Wl,--end-group" LAPACK_LIBS=" " MPIF90="mpif90.openmpi"

or on acs01

./configure --enable-parallel --disable-openmp --disable-cuda BLAS_LIBS="-Wl,--start-group /opt/acml4.4.0/gfortran64/lib/libacml.a /opt/acml4.4.0/gfortran64/lib/libacml_mv.a -Wl,--end-group" LAPACK_LIBS=" " MPIF90="mpif90"


On YuStation (Intel)

With CUDA:

./configure --enable-parallel --disable-openmp --enable-cuda --with-gpu-arch=20 --with-cuda-dir=/usr MPIF90=mpif90.openmpi BLAS_LIBS="-L${MKLROOT} -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" LAPACK_LIBS=" "

Without CUDA:

./configure --enable-parallel --disable-openmp MPIF90=mpif90.openmpi BLAS_LIBS="-L${MKLROOT} -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" LAPACK_LIBS=" "

Так же в этом разделе:
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