[Pw_forum] Compiling with intel fortran, MKL and MKL FFT wrappers

[Axel Kohlmeyer]

On Tue, 30 Sep 2008, Lorenzo Paulatto wrote:

LP> 
LP> On Mar, Settembre 30, 2008 01:48, Serge Nakhmanson wrote:
LP> >  My question is: is the latter (serial) library really the
LP> >  one intended to be used with Espresso, or is it the parallel
LP> >  one that should work but fails due to some function renaming
LP> >  in the latest MKL version
LP> 
LP> Dear Serge,
LP> QE itself is parallel. Using a parallel version of any library would
LP> reduce performance as the different processes, on which QE is
LP> parallelized, would spawn multiple threads, on which the libraries are
LP> parallelized, using more processors than available.
LP> 
LP> If you look for OMP_NUM_THREAD in the list archive you will find extensive
LP> discussions on this matter.

sorry,

but this is a completely unrelated matter.

cheers,
   axel.


LP> 
LP> regards
LP> 
LP> 

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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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