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