[gmx-users] gromacs 4.06 binary for linux -redhat

venkat vkabas at yahoo.com
Thu Dec 31 17:09:24 CET 2009

I did installed fftw , not sure it is completed. 
while doing make command , got the following error mesage

$ configure  -enable-threads --enable-float--prefix=/home/pgm/fftw

cp fftw_wisdom.1 fftwf-wisdom.1
make  all-am
/bin/sh ../libtool --tag=CC   --mode=link gcc -std=gnu99  -O3 -fomit-frame-pointer -fstrict-aliasing -ffast-math -mpentiumpro -pthread  -L/home/vk/pgm/fftw/lib -o fftwf-wisdom fftw-wisdom.o ../tests/bench.o ../tests/fftw-bench.o ../threads/libfftw3f_threads.la ../libfftw3f.la ../libbench2/libbench2.a  -lm 
libtool: link: gcc -std=gnu99 -O3 -fomit-frame-pointer -fstrict-aliasing -ffast-math -mpentiumpro -pthread -o fftwf-wisdom fftw-wisdom.o ../tests/bench.o ../tests/fftw-bench.o  -L/home/vk/pgm/fftw/lib ../threads/.libs/libfftw3f_threads.a ../.libs/libfftw3f.a ../libbench2/libbench2.a -lm -pthread
Making all in m4
make[2]: Nothing to be done for `all'.

any help

----- Original Message ----
From: Justin A. Lemkul <jalemkul at vt.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Wed, December 30, 2009 9:54:42 PM
Subject: Re: [gmx-users] gromacs 4.06 binary for linux -redhat

venkat wrote:
> Hi 
> I am new to GROMACS, like to use it. I would be appreciate if anyone can direct me to the right place where I could
> get the linux binary either x32/x64 - redhat.

Binaries for newer versions probably haven't been made yet.  Your subject line points to version 4.0.6, which was a broken release anyway, and was replaced by version 4.0.7.

> I could not compile the source cause it is looking for FFTW etc.,. 

Then you should follow the step-by-step installation instructions.  FFT libraries are a prerequisite for Gromacs.  Please see the following:



> thanks
> venkat

-- ========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080

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