[QE-developers] DFTI and OpenMP detection in configure

[Lorenzo Paulatto]

Ok, I answer to myself: using DFTI with openmp causes mysterious 
problems usually using diagonalization. Do you know if using the Intel 
FFTW interface would work around these or if it is exactly the same 
thing? Because, the little bit of scalability that I can gain from 
openmp is exactly lost by the performance I loose with FFTW3 wrt DFTI...

cheers

On 16/09/2019 10:30, Lorenzo Paulatto wrote:
> Hello,
> I have noticed that the configure script detects and enables 
> automatically the DFTI FFT libraries when executed without any specific 
> switch, but that it uses FFTW instead when executed with the 
> --enable-openmp switch.
> 
> I was wondering if this is intentional (i.e. because FFTW can give 
> better performance with openmp? Or DFTI does not work with openmp?) or 
> it is a bug.
> 
> cheers
> 

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Dr. Lorenzo Paulatto
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