On Sun, Dec 9, 2012 at 11:30 AM, Albert <[email protected]> wrote:

> Hello:
>
>    I am compiling Gromacs4.6beta2 with intel cimpiler by command:
>
> cmake .. -DGMX_MPI=ON
> -DCMAKE_CXX_COMPILER=/soft/intel64/icc/bin/intel64/mpiCC
> -DCMAKE_C_COMPILER=/soft/intel64/icc/bin/intel64/icc
>

You shouldn't use mpiCC as C++ and icc for C. Either both should be mpi or
none.
Also you say what ICC version you have.

>
>
> /home/albert/Downloads/gromacs/gromacs-4.6-beta2/build/CMakeFiles/CMakeTmp/testCXXCompiler.cxx
>    catastrophic error: Compiler configuration problem encountered. The
>    expected target architecture compiler is missing (11.1-intel64 !=
>    12.1-intel64)
>    (0): internal error: backend signals
>    compilation aborted for


Make sure your compiler environment is setup correctly (you want to load
the iccvars.sh and then don't use absolute paths for the icc binary). The
error message indicates something is wrong with that. Make sure you can
compile a simple test program independent of Gromacs.

Roland




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