[gmx-users] problem regarding installation of gromacs-4.5.5

[Justin A. Lemkul]

On 6/18/12 2:13 AM, Nidhi Jatana wrote:
> Dear Sir/Madam
> Thanks for all the help. I have removed the older version of gromacs and the new
> one also and hve reinstalled gromacs again. But I am still encountering the same
> problem. I am unable to figure out. First I removed the installed gromacs and
> all the links. The set of commands that I have given to install gromacs are as
> folllows:
> *
> ./configure --enable-mpi --program-suffix=_mpi
> make
>   make mdrun -j 8
>   make install
> make install-mdrun
> make links
> export PATH=$PATH:/usr/local/gromacs/bin/GMXRC
> echo $PATH*
>

Your installation procedure is wrong.  Please follow the instructions here:

http://www.gromacs.org/Documentation/Installation_Instructions

-Justin

> Please note that initially I had problems while compiling gromacs so I
> reinstalled fftw (version 3.3.2) by giving in the following commands:
>
> *cd fftw-3.3.2
> ./configure --enable-float --enable-sse --enable-shared
> make
> make install*
>
> Please help. I am unable to figure out what's wrong with the installation.
>
> Thanking you
>
> Regards
> --
> Nidhi Jatana
> Senior Research Fellow
> Bioinformatics Center
> Sri Venkateswara College
> (University of Delhi)
> Dhaula Kuan
> New Delhi-110021.
>

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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