replacing fft routines

From: Florian Barth <>
Date: Tue 22 Oct 2002 22:08:14 +0200

Hello Amber Users,

does anybody know how to implement a different fft routine into the
sander code? As far as I know amber uses a one dimensional fft routine
from sgi for the PME algorithm (at least on my linux box). I would
expect a multi dimensional fft program like FFTW to perform much better,
but don`t know if it is possible to use it sander.
Any comment would be appreciated.

    Florian Barth


Florian Barth
Institute of Technical Biochemistry
University of Stuttgart
Allmandring 31
70569 Stuttgart
phone: +49-711-6857481
fax: +49-711-6853196
Received on Tue Oct 22 2002 - 13:08:14 PDT
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