Hi. Yes, but that is the "gcc solution". No prblem with those, except for giving away the "challenge" to make it work with intel compilers.
Basically: I couldn't find a way much better. The way I trid in the time I tried, included compilation of the loops and only the loops using gcc to make the assembly works... :P Sad, the computer won that on me... :P Wish you have better luck! :) Jones On 9/13/07, Erik Lindahl <[EMAIL PROTECTED]> wrote: > > Hi, > Well, I have a much simpler solution - there is no reason whatsoever to > use fortran on ia32 or x86-64 since Gromacs will always use the much faster > SSE assembly loops. > > Cheers, > > Erik > > > On Sep 13, 2007, at 8:44 AM, Diego Enry wrote: > > This works for me: > > % vim /etc/ld.conf > > /opt/intel/mkl/8.0/lib/em64t/ <<<= only if you have installed > MKL > /opt/intel/fce/9.0/lib/ > /opt/intel/cce/9.0/lib/ > > then run > % ldconfig > > > If you wish, you may also add the 32bit libs: > /opt/intel/mkl/8.0/lib/32/ <<<= only if you have installed MKL > /opt/intel/fc/9.0/lib/ > /opt/intel/cc/9.0/lib/ > > > > On 9/13/07, liu xin <[EMAIL PROTECTED]> wrote: > > > > Dear GMX-users: > > > > I've searched the list but couldnt find something usful for me, and this > > is how I did it so far : > > > > source /opt/intel/fce/version/bin/ifortvars.sh > > export F77=ifort > > export CPPFLAGS=-I/home/xin/programs/fftw312/include > > export LDFLAGS=-L/home/dong/programs/fftw312/lib > > configure --prefix=/home/xin/programs/gromacs331 --enable-fortran > > --enable-mpi > > make mdrun > > make install-mdrun > > > > after the installation, I tried to do the mdrun: > > mpirun -np 2 /home/xin/programs/gromacs331/mdrun -s ... > > and then I got the following error message: > > error while loading shared libraries: libsvml.so: cannot open shared > > object file: No such file or directory > > > > The OS of my pc is SUSE 9.3. And I found that the "missing" file, > > libsvml.so, was in /opt/intel/fce/version/lib > > Is there something wrong with my steps? or shoould I add some FFLAGS? > > I am not very familiar with fortran and Linux, any suggestions will be > > appreciated! > > > > Xin Liu > > > > _______________________________________________ > > 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 > > > > _______________________________________________ > 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 >
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