Hi, Gromacs has it's own parallel FFT which only uses FFTW for the local FFT. Thus a non-MPI FFTW is fine. and FFTW 3 is faster than 2.
Roland On Thu, Sep 4, 2008 at 8:53 AM, Myunggi Yi <[EMAIL PROTECTED]> wrote: > Dear gmx users, > > fftw3 seems doesn't support MPI. > Why is the gromacs configuration default fftw3 not fftw2? > Which version should I use for parallel computing? > > Thank you. > > > -- > Best wishes, > > Myunggi Yi > ================================== > KLB 419 > Institute of Molecular Biophysics > Florida State University > Tallahassee, FL 32306 > > Office: (850) 645-1334 > http://www.scs.fsu.edu/~myunggi <http://www.scs.fsu.edu/%7Emyunggi> > [EMAIL PROTECTED] > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
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