Many errors with Intel 2017 compilers in test suite (popt, 3.0 and 4.1)

Stefan Becuwe stefan... at gmail.com
Mon May 8 12:00:40 CEST 2017


Dear Andreas,

Intel 2017 parallel compiler suite seems to have a bug in their FFT 
> interface - already reported to Intel. What works quite well for 
> CP2K-trunk, is using the compiler suite for Scalapack/Blacs, MKL, MPI/OMP 
> and leave FFTs to a self-compiled version of FFTW3.
>

Are there any guidelines how to use MKL on the one hand and use an 
"external" FFTW3 on the other hand? 

I found in src/pw/fft/fftw3_lib.F following line, which gives me the 
impression it's maybe not that simple to decouple MKL and MKL's FFT.
#if defined (__INTEL_COMPILER) && defined (__MKL) && defined (__FFTW3) 

Thanks!

Regards,
Stefan
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