alternatively, delete you CMakeCache.txt, then run CC=/path/to/mpic++ cmake .
2011/11/27 Christoph Junghans <[email protected]>: > 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. > > -- 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.
