Dear all, I hope this will be of use to those of you trying to run multiprocessor jobs on the latest mac os with intel processors. This may all seem obvious- but it took us a while to figure it out and I know colleagues elsewhere have had similar issues.
After having all sorts of problems with lam mpi, we discovered that leopard 10.5.2 comes with open mpi installed as standard. So if you compile mpi enabled gromacs using open mpi (we didn't have to use any extra flags, as everything was in standard locations)all should work just fine. We used fftw3.1.2, gfortran and gcc. We are running on a 2x quadcore (3.0 GHz) mac pros. Will post some benchmarks soon. Best wishes, -Syma *********************************************************************** Dr Syma Khalid RCUK Fellow (Chemical Biology) School of Chemistry University of Southampton Highfield Southampton phone: (0)2380-594176 SO17 1BJ email: [EMAIL PROTECTED] U.K. *********************************************************************** _______________________________________________ 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
