[gmx-users] ERROR while compiling gromacs4.6.1

[Mark Abraham]

If the version of gcc is unsuitable, you can write the path to it in
gold leaf and it still won't help :-) Check gcc --version for the
exercise, and then find out how to install 4.7.x or 4.8.x.

Mark

On Wed, Sep 11, 2013 at 5:09 AM, Golshan Hejazi
<golshan.hejazi at yahoo.com> wrote:
>
>
> Hello,
>
> i am trying to compile gromacs-4.6.1 on a linux machine. I used already the following compile script and it worked....
>
> export CCDIR=/usr/bin/gcc
> export MPICCDIR=/usr/mpi/gcc/openmpi-1.4.1/bin
> export CXX=mpicxx
> export CC=mpicc
>
> cd /home/fbafti/CODE
>
> tar -xvf gromacs-4.6.1.tar.gz
> cd mv gromacs-4.6.1 gromacs-4.6.1-plumed/
> cd build-gromacs-4.6.1-plumed/
>
> /home/fbafti/CODE/cmake-2.8.11.2-Linux-i386/bin/cmake   /home/fbafti/CODE/gromacs-4.6.1-plumed \
> -DFFTWF_LIBRARY=/home/fbafti/CODE/fftw-3.3.3/lib/libfftw3f.so \
> -DFFTW3F_INCLUDE_DIR=/home/fbafti/CODE/fftw-3.3.3/include  \
> -DFFTW3F_LIBRARIES=/home/fbafti/CODE/fftw-3.3.3/lib/libfftw3f.a \
> -DCMAKE_INSTALL_PREFIX=/home/fbafti/CODE/build-gromacs-4.6.1-plumed \
> -DGMX_X11=OFF \
> -DCMAKE_CXX_COMPILER=/usr/mpi/gcc/openmpi-1.4.1/bin/mpicxx \
> -DCMAKE_C_COMPILER=/usr/mpi/gcc/openmpi-1.4.1/bin/mpicc \
> -DGMX_MPI=ON \
> -DGMX_PREFER_STATIC_LIBS=ON
>
>
> However I am trying it now on another machine with the same linux platform and I get the following error:
>
> CMake Warning at CMakeLists.txt:727 (message):
>   No C SSE4.1 flag found.  Consider a newer compiler, or use SSE2 for
>   slightly lower performance
>
>
> -- Looking for smmintrin.h
> -- Looking for smmintrin.h - not found
> CMake Error at CMakeLists.txt:750 (message):
>   Cannot find smmintrin.h, which is required for SSE4.1 intrinsics support.
>
>
> -- Configuring incomplete, errors occurred!
>
> I thought if the gcc path is already defined ... it shouldn't complain !
> Can you help me figure out what causes the error?
>
> Many thanks
> G.
> --
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