Hi Suraya. I have succesfully installed Gromacs 4.5, 4.6, and 5.0 on my macbook pro running OS X Mavericks, even with CUDA support. I am not using apple compiler because apple compiler in Mavericks (clang 3.4) doesn't support OpenMP, that will cause many errors when compiling gromacs (my experience) so that i use gcc 4.7 compiler instead. Here my step to install Gromacs on My MacbookPro mid 2009.
FIRST: -Install GCC/G++ 4.7. Its very easy to install gcc/g++ 4.7 via MacPorts ( www.macports.org) because it is almost automatic as all dependencies will be installed. SECOND: -Download Gromacs 5.0/5.0.01/5.0.2 -Extract the downloaded file -open the downloaded folder in terminal. If you don't familiar how to open folder in terminal, then just right click -> service --> new terminal at folder (if this options doesn't exists, do the following steps : system preferences --> keyboard --> shortcut --> service --> new folder at terminal) - just type: *cmake .. -DCMAKE_C_COMPILER=/opt/local/bin/gcc -DCMAKE_CXX_COMPILER=/opt/local/bin/g++ -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DGMX_BUILD_OWN_FFTW=ON *then press return/enter. - everything should be set up, and the fftw is also automatically downloaded and compiled. - then type *make -j 2 *(if your macbook has 2 cores) - then * make install* - run *make check *if you compile 5.0.2 - then type *export PATH=$PATH:/usr/local/gromacs/bin/* every time you want to start gromacs that's it. good luck On Fri, Oct 24, 2014 at 6:03 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 10/24/14 6:32 AM, Suraya Abdul Sani wrote: > >> hi.. i have problem in installing gromacs in my macbook pro ( personal pc) >> .. can anyone help me with this?? >> >> > Not unless you tell us exactly what you're doing - exact cmake command, > exact error messages, etc. > > In general, follow http://www.gromacs.org/Documentation/Installation_ > Instructions > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 629 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== > > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Thanks My Best Regards, Nizar Medical Faculty of Brawijaya University -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.