You can use the "-march=native" flag with gcc to optimize for the CPU your are building on or e.g. -march=corei7-avx-i for Intel Ivy Bridge CPUs. -- Szilárd Páll
On Mon, Nov 4, 2013 at 12:37 PM, James Starlight <jmsstarli...@gmail.com> wrote: > Szilárd, thanks for suggestion! > > What kind of CPU optimisation should I take into account assumint that I'm > using dual-GPU Nvidia TITAN workstation with 6 cores i7 (recognized as 12 > nodes in Debian). > > James > > > 2013/11/4 Szilárd Páll <pall.szil...@gmail.com> > >> That should be enough. You may want to use the -march (or equivalent) >> compiler flag for CPU optimization. >> >> Cheers, >> -- >> Szilárd Páll >> >> >> On Sun, Nov 3, 2013 at 10:01 AM, James Starlight <jmsstarli...@gmail.com> >> wrote: >> > Dear Gromacs Users! >> > >> > I'd like to compile lattest 4.6 Gromacs with native GPU supporting on my >> i7 >> > cpu with dual GeForces Titans gpu mounted. With this config I'd like to >> > perform simulations using cpu as well as both gpus simultaneously. >> > >> > What flags besides >> > >> > cmake .. -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-5.5 >> > >> > >> > should I define to CMAKE for compiling optimized gromacs on such >> workstation? >> > >> > >> > Thanks for help >> > >> > James >> > -- >> > gmx-users mailing list gmx-users@gromacs.org >> > http://lists.gromacs.org/mailman/listinfo/gmx-users >> > * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> > * Please don't post (un)subscribe requests to the list. Use the >> > www interface or send it to gmx-users-requ...@gromacs.org. >> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> * Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org. >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists