<div dir="ltr">Hi,<br><br>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.<br><br>Roland<br><br><div class="gmail_quote">On Thu, Sep 4, 2008 at 8:53 AM, Myunggi Yi <span dir="ltr"><<a href="mailto:myunggi@gmail.com">myunggi@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div dir="ltr">Dear gmx users,<br><br>fftw3 seems doesn't support MPI.<br>Why is the gromacs configuration default fftw3 not fftw2?<br>
Which version should I use for parallel computing?<br><br>Thank you.<br><br clear="all">
<br>-- <br>Best wishes,<br><br>Myunggi Yi<br>==================================<br>KLB 419<br>Institute of Molecular Biophysics<br>Florida State University<br>Tallahassee, FL 32306<br><br>Office: (850) 645-1334<br><a href="http://www.scs.fsu.edu/%7Emyunggi" target="_blank">http://www.scs.fsu.edu/~myunggi</a><br>
<a href="mailto:myunggi@gmail.com" target="_blank">myunggi@gmail.com</a><br>
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