[Wien] on use of FFTW3 in MKL

[Peter Blaha]

Sequential lapw0:
you can either completely compile without any fftw3 (using the internal 
fft routines),
or you can link to the fftw3 from the mkl (in my a bit older mkl version 
(2014) I had to "install" this fftw separately for the mkl)
or you install the fftw3 package yourself and link with this.

parallel lapw0:   You need fftw3 and fftw3_mpi.
When I tested this a few years ago, I could NOT mix the fftw3lib from 
mkl with the fftw3_mpilib from the compiled package, but had to use 
both, fftw3 and fftw3mpi-libraries from my installed fftw3 package.

fftw is not particular time critical, so almost "any" fftw3 installation 
is fine.
Installation of the fftw3 was "trivial" (see the tips in the UG for 
compiling fftw3).

Regards

On 02/07/2018 05:09 PM, Hyungjun Lee wrote:
> Dear developers:
> 
> I am trying to compile Wien2k 17.1 with Intel MKL in the cray system.
> 
> I have no problem with compiling Wien2k 17.1 with numerical libraries 
> except for fftw in mkl and the separate fftw3 in the official FFTW3.
> 
> But, I am wondering whether I can use only numerical libraries in mkl 
> including fftw3.
> I can't find the information on this in the user guide.
> 
> Could you let me know how to do this?
> I just want to use only mkl without using FFTW3 package.
> 
> Sincerely,
> 
> M.
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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