[gmx-users] Build-Gromacs installation error

[Dan Sponseller]

You might not have MPI installed on your computer (or MPICH). However, sounds like you are installing this on a personal computer. You should turn off MPI as GROMACS’ internal thread MPI is excellent. You only need to turn on MPI if you are installing this on a cluster where multiple CPUs are used on separated PCs.

If you really need external MPI, the wrapper compiler is usually called ‘mpicc’. So set all the cmake variables to this.

Dan
 
> On Feb 6, 2015, at 1:01 AM, rahul dhakne <rahuldhakne89 at gmail.com> wrote:
> 
> Hello Everyone,
> 
> I am trying to install Gromacs on my computer. But after I run *cmake ..*
> command it display error
> 
> -- Enabling native GPU acceleration
> -- Could NOT find MPI_C (missing:  MPI_C_LIBRARIES MPI_C_INCLUDE_PATH)
> -- Could NOT find MPI_CXX (missing:  MPI_CXX_LIBRARIES
> MPI_CXX_INCLUDE_PATH)
> CMake Error at cmake/gmxManageMPI.cmake:150 (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:464 (include)
> 
> 
> -- Configuring incomplete, errors occurred!
> See also
> "/home/rose/Software/Gromacs/gromacs-5.0.4/build-gromacs/CMakeFiles/CMakeOutput.log".
> See also
> "/home/rose/Software/Gromacs/gromacs-5.0.4/build-gromacs/CMakeFiles/CMakeError.log".
> 
> -- 
> -
> Rose
> -- 
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