/usr/local/gromacs/bin/grompp_mpi_d--prefix=/usr/local/gromacs333 <<= just zoom in the middle of the command
right here: mpi_d--prefix= you forgot to put a space between "mpi_d" and "--prefix" copy&paste the corrected version bellow. ./configure --enable-mpi --program-suffix=_mpi --prefix=/usr/local/gromacs332 have fun ! On Wed, Mar 12, 2008 at 4:05 PM, mario ciappy <[EMAIL PROTECTED]> wrote: > > Thank you very much for help me. > I have try to install gromacs 3.3.3 on rhel 4.0. > I try to configure gromacs single with the command "./configure > --enable-mpi --program-suffix=_mpi--prefix=/usr/local/gromacs332", but when > I try to install, I have this error: > usr/bin/install: cannot create regular file > `/usr/local/gromacs/bin/grompp_mpi_d--prefix=/usr/local/gromacs333': No such > file or directory > make[3]: *** [install-binPROGRAMS] Error 1 > make[3]: Leaving directory `/home/mario/gromacs-3.3.3/src/kernel' > make[2]: *** [install-am] Error 2 > make[2]: Leaving directory `/home/mario/gromacs-3.3.3/src/kernel' > make[1]: *** [install-recursive] Error 1 > make[1]: Leaving directory `/home/mario/gromacs-3.3.3/src' > make: *** [install-recursive] Error 1 > I have try to edit the end of the configure command "/usr/local/gromacs332" > with"/usr/local/gromacs333" and "/usr/local/gromacs" but I have anlogue > errors. Can you help me? > > Thanks in advance. > > > Mario > Diego Enry <[EMAIL PROTECTED]> ha scritto: > 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 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 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 > > > > > ________________________________ > Inviato da Yahoo! Mail. > Il servizio di posta con lo spazio illimitato. > _______________________________________________ > 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
