Hi, On Wednesday 12 July 2006 21:26, Susan Chacko wrote: > Hi all, > > We have a bunch of Opterons connected with Infiniband. I'm trying to > get Gromacs compiled for these nodes. I successfully built FFTW > 3.1.2, but my Gromacs 3.3.1 config goes about halfway and then fails > with > > checking size of int... configure: error: cannot compute sizeof > (int), 77 > > These are the flags I'm using: > ./configure --with-fft=fftw3 --enable-float --prefix=/usr/local/src/ > gromacs/gromacs-ib --enable-mpi > > Any suggestions? Has anyone else successfully built/run Gromacs with > Pathscale/IB?
We are running here gromacs on infiniband and xeon architecture without problems, i used gcc and intel compiler, the performance is nearly the same (0,5% more or less). Disable fortran for compiling, we are using mvapich (you can get it here: http://nowlab.cse.ohio-state.edu/projects/mpi-iba/ ) for mpich communication. > > All help much appreciated, > Susan. > > ------------------------------------------------------------------------ > ---------- > Susan Chacko > Computational Biologist, Helix Systems > Center for Information Technology > 12B/2N207 Ph: 301-435-2982 > National Institutes of Health Fax: > 301-402-2190 > Bethesda, MD 20814 Email: > [EMAIL PROTECTED] > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 Greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
