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Setup QE with intel libraries without openmp

Download and add NEB to the root directory (espresso-x.x.x)

module load intel/12.1.7.256

module load fftw3/3.3.1

./configure --enable-parallel 1> configure.log 2>configure.err

make pw

Setup QE with intel libraries, openmp and mkl fft wrapper

Download and add NEB to the root directory (espresso-x.x.x) Compile MKL fftw wrapper (about 10% faster)

module load intel/12.1.7.256

./configure --enable-openmp --enable-parallel FFT_LIBS="/path/to/intelfftw/fftw3xf/libfftw3xf_intel.a" 1>configure.log 2>configure.err

make pw

Setup QE with intel libraries, openmp and mkl fft wrapper and ELPA

Download and add NEB to the root directory (espresso-x.x.x) Extract ELPA in the root directory Compile MKL fftw wrapper (about 10% faster) ELPA library improve scalability! PRACE whitepaper

module load intel/12.1.7.256

./configure --with-elpa --enable-openmp --enable-parallel FFT_LIBS="/path/to/intelfftw/fftw3xf/libfftw3xf_intel.a" 1>configure.log 2>configure.err

make pw