[gmx-users] problem regarding installation of gromacs-4.5.5
iitdckc at gmail.com
Mon Jun 18 08:20:23 CEST 2012
To get reply from the gmx community, you need to post the error messages
which erupts while compiling.
Chandan kumar Choudhury
On Mon, Jun 18, 2012 at 11:43 AM, Nidhi Jatana <nidhijatana at bic-svc.ac.in>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 mdrun -j 8
> make install
> make install-mdrun
> make links
> export PATH=$PATH:/usr/local/gromacs/bin/GMXRC
> echo $PATH*
> 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 install*
> Please help. I am unable to figure out what's wrong with the installation.
> Thanking you
> Nidhi Jatana
> Senior Research Fellow
> Bioinformatics Center
> Sri Venkateswara College
> (University of Delhi)
> Dhaula Kuan
> New Delhi-110021.
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users