You should check the user guide. http://www.mcs.anl.gov/research/projects/mpich2/documentation/index.php?s=docs
In a nutshell: 1) You need is to install mpich in all machines. Actually you can sync the mpich install directory (also gromacs). 2) You also need to have the same /etc/hosts on every machine. rsync that. 3) You need to grant ssh access without password by creating a rsa-key for every user Fell free to private message if you need any additional help. Ciao. On Tue, Mar 4, 2008 at 6:04 AM, mario ciappy <[EMAIL PROTECTED]> wrote: > Thank's Diego, > I'm grateful to you. I have only one question. How can I configure mpi/lam > for relaize the comunication between nodes? > I have created an hostsfile with my ip addresses. > Thank's a lot in advance. > > Mario > > Diego Enry <[EMAIL PROTECTED]> ha scritto: > > 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 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 gmx-users@gromacs.org > > 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 gmx-users@gromacs.org > 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 > > > > > ________________________________ > ________________________________ > L'email della prossima generazione? Puoi averla con la nuova Yahoo! Mail > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users@gromacs.org 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
