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Update Marconi 100 with OpenBLAS from modules authored by Pietro's avatar Pietro
...@@ -63,6 +63,8 @@ Notice that `-inp pw.in` is the only working method to provide input files, pipe ...@@ -63,6 +63,8 @@ Notice that `-inp pw.in` is the only working method to provide input files, pipe
./configure CC=pgcc F77=pgf90 FC=pgf90 F90=pgf90 MPIF90=mpipgifort --enable-openmp --with-cuda=$CUDA_ROOT --with-cuda-runtime=10.1 --with-cuda-cc=70 ./configure CC=pgcc F77=pgf90 FC=pgf90 F90=pgf90 MPIF90=mpipgifort --enable-openmp --with-cuda=$CUDA_ROOT --with-cuda-runtime=10.1 --with-cuda-cc=70
sed -i 's/^\s*BLAS_LIBS/#&/' make.inc
sed -i "s:^LAPACK_LIBS\s.*:LAPACK_LIBS=-L${OPENBLAS_LIB}/openblas/lib/ -lopenblas:g" make.inc
sed -i 's/-D__FFTW/-D__FFTW3/g' make.inc sed -i 's/-D__FFTW/-D__FFTW3/g' make.inc
sed -i 's/FFT_LIBS =/FFT_LIBS = -lfftw3_omp -lfftw3/g' make.inc sed -i 's/FFT_LIBS =/FFT_LIBS = -lfftw3_omp -lfftw3/g' make.inc
make -j pw make -j pw
...@@ -83,7 +85,7 @@ Notice that `-inp pw.in` is the only working method to provide input files, pipe ...@@ -83,7 +85,7 @@ Notice that `-inp pw.in` is the only working method to provide input files, pipe
sed -i 's/^\s*CUDA_EXTLIBS/#&/' make.inc sed -i 's/^\s*CUDA_EXTLIBS/#&/' make.inc
sed -i 's/^\s*BLAS_LIBS/#&/' make.inc sed -i 's/^\s*BLAS_LIBS/#&/' make.inc
sed -i 's:^LAPACK_LIBS\s.*:LAPACK_LIBS=-L$(TOPDIR)/openblas/lib/ -lopenblas:g' make.inc sed -i "s:^LAPACK_LIBS\s.*:LAPACK_LIBS=-L${OPENBLAS_LIB}/openblas/lib/ -lopenblas:g" make.inc
sed -i 's:^CUDA_LIBS=.*:CUDA_LIBS=-Mcudalib=cufft,cublas,cusolver:g' make.inc sed -i 's:^CUDA_LIBS=.*:CUDA_LIBS=-Mcudalib=cufft,cublas,cusolver:g' make.inc
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