[gmx-users] failed with intel compiler

[Roland Schulz]

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
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




>  --
> 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
>
>
>
>
>


-- 
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309