[gmx-users] installation and fftw
roland at utk.edu
Thu Sep 4 17:40:12 CEST 2008
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.
On Thu, Sep 4, 2008 at 8:53 AM, Myunggi Yi <myunggi at gmail.com> 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>
> myunggi at gmail.com
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