Since you didn't show us the problems you met.. try following this: #1) Download essential packages #1.1) mpich wget http://www.mcs.anl.gov/research/projects/mpich2/downloads/tarballs/mpich2-1.0.6p1.tar.gz
#1.2) fftw wget ftp://ftp.fftw.org/pub/fftw/fftw-3.1.2.tar.gz #1.3) gromacs wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.3.2.tar.gz #2) compile packages: #2.1) mpich tar xvfz mpich2-1.0.6p1.tar.gz cd mpich2-1.0.6p1 make distclean ./configure --with-device=ch3:nemesis --enable-fast --disable-cxx --enable-error-checking=no CFLAGS=-O3 FFLAGS=-O3 make make install make distclean cd .. #2.2) fftw single tar xvfz fftw-3.1.2.tar.gz cd fftw-3.1.2 make distclean ./configure --enable-float --enable-sse --enable-threads make make install make distclean cd .. #2.3) gromacs single tar xvfz gromacs-3.3.2.tar.gz cd gromacs-3.3.2 ./configure --enable-mpi --program-suffix=_mpi --prefix=/usr/local/gromacs332 make make install make links make distclean cd .. #2.4) fftw double cd fftw-3.1.2 ./configure --enable-sse2 --enable-threads make make install make distclean cd .. #2.2) gromacs double cd gromacs-3.3.2 ./configure --enable-mpi --program-suffix=_mpi_d --prefix=/usr/local/gromacs332 --enable-double make make install make links make distclean cd .. On Mon, Mar 3, 2008 at 3:09 PM, mario ciappy <[EMAIL PROTECTED]> wrote: > Dear all, > I'm tried to configure gromacs in parallel but I have meet some problems. > I don't understand if the problems are relative to mpi or gromacs > configuration. For this reason I'd be grateful if you explained a detailed > installation procedure of all that require to run gromacs in parallel, > started by mpi/lam configuration. I now that is an hard and demanding > request, but it is a big help for me because you are only resource. > > Thank's in advance > > Mario > > > ________________________________ > ________________________________ > > L'email della prossima generazione? Puoi averla con la nuova Yahoo! Mail > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Diego Enry B. Gomes Laboratório de Modelagem e Dinamica Molecular Universidade Federal do Rio de Janeiro - Brasil. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
