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.
--
========================================
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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