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

Szilárd Páll szilard.pall at cbr.su.se
Fri Apr 5 17:56:52 CEST 2013


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:



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 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 at 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-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list