Hi, see installation instruction with CMAKE here: http://www.gromacs.org/Documentation/Installation_Instructions
I guess that maybe you need to specify your Openmpi and FFTW installation directories using options CMAKE_PREFIX_PATH. For example, my Openmpi and FFTW were firstly installed in "/home/ucaizk/ComTools/openmpi" and "/home/ucaizk/ComTools/fftw Then, I installed gromacs with command lines below: $ tar -xzvf gromacs-4.6.1.tar.gz $ mkdir build $ cd build $ CMAKE_PREFIX_PATH=/home/ucaizk/ComTools/openmpi:/home/ucaizk/ComTools/fftw cmake -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX =/home/ucaizk/ComTools/gromacs ../gromacs-4.6.1 $ make $ make install When above was done, cd to your home directory and add one line to ".bashrc" file export PATH=$PATH:/home/ucaizk/ComTools/gromacs/bin restart bash shell, then all are done! Hope it helps! Zhikun On Fri, Apr 5, 2013 at 11:12 PM, 라지브간디 <ra...@kaist.ac.kr> wrote: > Dear gmx users, > > > I could able to install gmx4.6.1 without MPI option in my cluster, whereas > the MPI fails to install and gives the following error ( used command line > cmake .. -DGMX_MPI=ON -DGMX_BUILD_OWN_FFTW=ON ) > > > CMake Error at cmake/gmxManageMPI.cmake:161 (message): > MPI support requested, but no MPI compiler found. Either set the > C-compiler (CMAKE_C_COMPILER) to the MPI compiler (often called mpicc), > or > set the variables reported missing for MPI_C above. > Call Stack (most recent call first): > CMakeLists.txt:494 (include) > > > > > I have also installed openmpi 1.5 version. which mpirun shows > /usr/bin/mpirun. > It seems openmpi installed in /usr/bin/openmpi/ > > > I dont know how to do link this cmake. > > > Please need some suggestion. Thanks. > > -- > 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