[gmx-users] gmx 4.6 mpi installation through openmpi?
caizkun at gmail.com
Mon Apr 8 09:15:54 CEST 2013
Hi, see installation instruction with CMAKE here:
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 -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX
$ make install
When above was done, cd to your home directory and add one line to
restart bash shell, then all are done!
Hope it helps!
On Fri, Apr 5, 2013 at 11:12 PM, 라지브간디 <rajiv at 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),
> 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
> 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 at gromacs.org
> * 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-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users