[Pw_forum] Benchmarks (was Pentium-M versus Itanium)

[Axel Kohlmeyer]

On Sat, Mar 15, 2008 at 4:39 PM, Nicola Marzari <marzari at mit.edu> wrote:
>
>  Thanks Aleksandr for the tests - this is really helpful.
>
>  Paolo - I also tried FFT3 3.0, but failed - can you help us a bit more -
>  i.e.
>  what is the MKL-FFTW interface, to be compiled separately ? (I installed
>  MKL with the rpm of the Intel distro).

nicola,
check out:  /opt/intel/mkl/10.0.1.014/interfaces/fftw3xf/
           or:  /opt/intel/mkl/10.0.1.014/interfaces/fftw2xf/
this will create fake fftw2/3 libraries that utilize the MKL fft instead.

ciao,
   axel.

>
>  nicola
>
>
>
>
>  Paolo Giannozzi wrote:
>  > On Mar 15, 2008, at 19:18 , Aleksandr Shaposhnikov wrote:
>  >
>  >
>  >>  * ifort 10.1.011, mkl 10.1.014, internal QE fftw [...]
>  >>
>  >
>  > you might try FFTW v.3 with the MKL-FFTW interface (contained in
>  > recent versions of MKL, must be separately compiled): at least in
>  > serial execution, it is faster than internal FFTW compiled with gcc
>  >
>  >
>  >
>
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>  --
>
> ---------------------------------------------------------------------
>  Prof Nicola Marzari   Department of Materials Science and Engineering
>  13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
>  tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu
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-- 
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Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
 Center for Molecular Modeling -- University of Pennsylvania
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