Friday, September 20, 2013

Compile and Build FFTW3 wrapper routines on MKL implementation of FFT

Software like VASP uses calling statements of the FFTW3 which differ to the implementation of FFT in MKL. You will need to compile the wrapper routines for MKL

# cd $MKLROOT/interfaces/fftw3xf
# make
After a successful compilation libfftw3xf_intel.a was created in this directory

The information is taken from Installing VASP

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