[gmx-users] installation and fftw

[Roland Schulz]

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 <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
> ==================================
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ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
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