Thank you very much Mark. Another question, will be better if I compile FFTW than use the one included in my linux distro?
Anthony On Tue, Jul 5, 2011 at 11:08 AM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > On 6/07/2011 12:28 AM, Matthew Zwier wrote: > >> Sorry about that. >> >> The default options are nearly optimal, and the difference between a >> modern (4.4 or 4.5) series GCC and the Intel compilers are only a >> couple of percent. Just be sure to have FFTW available. >> > > ... if planning to use PME. Also, Intel MKL is only a percent or two faster > than FFTW3, last I tested, but much more fiddly to link. > > Mark > > > On Tue, Jul 5, 2011 at 10:26 AM, Matthew Zwier<mczw...@gmail.com> wrote: >> >>> Hi Anthony, >>> >>> The default options are nearly optimal, and the difference between a >>> modern (4.4 or 4.5) GCC >>> >>> On Tue, Jul 5, 2011 at 10:01 AM, Anthony Cruz Balberdi >>> <anthony.cr...@upr.edu> wrote: >>> >>>> Dear Users: >>>> >>>> We recently received our new computer. This computer have 4 multicore >>>> Opteron AMD cpus and I am planning to install GROMAS. Which options I >>>> will >>>> need to use in order to achieve the best possible performance? >>>> Which compiler GNU or Intel? >>>> >>>> Thank you for all you help. >>>> >>>> Anthony >>>> >>>> -- >>>> gmx-users mailing list gmx-users@gromacs.org >>>> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> >>>> Please search the archive at >>>> http://www.gromacs.org/**Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> >>>> >>>> > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> >
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