[gmx-users] gmx 4.6 mpi installation through openmpi?

[Szilárd Páll]

Hi,

As the error message states, the reason for the failed configuration is
that CMake can't auto-detect MPI which is needed when you are not providing
the MPI compiler wrapper as compiler.

If you want to build with MPI you can either let CMake auto-detect MPI and
just compile with the C compiler or pass "CC=mpicc" to CMake and use the
MPI compiler "magic" instead of detection.

Unfortunately, the new installation instructions don't explain this detail
which was in fact briefly mentioned in the deprecated CMake instructions:
http://www.gromacs.org/Documentation/Installation_Instructions_4.5/Cmake#MPI_build

Cheers,

--
Szilárd


On Fri, Apr 5, 2013 at 5:12 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),
> 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.
>
> --
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