Option 1: If you have ccmake or cmake-gui installed, you can just run build.sh with --gui options (it calls ccmake/cmake-gui instead of cmake), which opens a nice menu with all options.
Option 2: run cmake and edit CMakeCache.txt by hand and rerun cmake Option 3: -DCMAKE_CXX_COMPILER=/path/to/mpic++ Cheers, Christoph Am 26. November 2011 16:24 schrieb Sikandar Mashayak <[email protected]>: > Hey Christoph thanks for the explanation. > > As I am not much familiar with cmake, I wonder if I were to use mpic++ > instead of g++ > how should I specify that? Make any changes to Cmake files? > > thanks > sikandar > > On Sat, Nov 26, 2011 at 4:44 PM, Christoph Junghans <[email protected]> > wrote: >> >> Am 26. November 2011 14:26 schrieb Sikandar Mashayak >> <[email protected]>: >> > I am trying to install Votca with mpi enabled gromacs. And it is not >> > able to >> > link to >> > gromacs since library file name of gromacs is libgmx_mpi. >> > So, could anyone please suggest how to link to _mpi libraries of >> > gromacs? >> Short answer: don't do it, just compile gromacs twice (with and without >> mpi). >> Long answer: You could specify >> -DGROMACS_LIBRARIES=/path/to/libgmx_mpi.so, but as libgmx_mpi.so >> contains calls to libmpi.so, you will need to add libmpi.so to >> GROMACS_DEP_LIBRARIES and have to use mpic++ instead of g++ as >> compiler, but as VOTCA make no use of mpi anyway, just link against >> libgmx.so (without mpi). >> >> Btw, in gromacs only mdrun make use of mpi, all other program run in >> serial and if you only run of shared memory systems mdrun with threads >> is the better option. >> >> Cheers, >> >> Christoph >> >> >> > >> > thank you, >> > sikandar >> > >> > -- >> > You received this message because you are subscribed to the Google >> > Groups >> > "votca" group. >> > To post to this group, send email to [email protected]. >> > To unsubscribe from this group, send email to >> > [email protected]. >> > For more options, visit this group at >> > http://groups.google.com/group/votca?hl=en. >> > >> >> >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de >> >> -- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To post to this group, send email to [email protected]. >> To unsubscribe from this group, send email to >> [email protected]. >> For more options, visit this group at >> http://groups.google.com/group/votca?hl=en. >> > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
