[gmx-users] failed with intel compiler

Roland Schulz roland at utk.edu
Sun Dec 9 19:43:47 CET 2012

On Sun, Dec 9, 2012 at 11:30 AM, Albert <mailmd2011 at gmail.com> 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
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.


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