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

라지브간디 rajiv at kaist.ac.kr
Fri Apr 5 17:12:23 CEST 2013

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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