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 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 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- --------------------------------------------------------------------- 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
