[gmx-users] Gromacs 4.6 compilation with Open64

[David McGiven]

Hi there,

Has anyone succeded compiling gromacs 4.6 with Open64 ?

I'm using the following configuration :
export PATH=/opt/open64-4.5.2/bin:$PATH
export CC=opencc; export CXX=opencc; export F90=openf90; F95=openf95
export TOOLROOT=/opt//open64-4.5.2
/opt/cmake-2.8.10.2/bin/cmake /opt/gromacs-4.6 -DGMX_BUILD_OWN_FFTW=ON
-DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON

I'm getting the following error :

CMake Error at CMakeLists.txt:791 (message):
  Cannot find immintrin.h, which is required for AVX intrinsics support.
  Consider switching compiler.

-- Configuring incomplete, errors occurred!

I have tried adding the folder where immintrin.h is located :
export
CMAKE_INCLUDE_PATH=/opt/open64-4.5.2/include/4.5.2/:/opt/open64-4.5.2/open64-gcc-4.2.0/lib/gcc/x86_64-redhat-linux/4.2.0/include/

But I still get the same error.

Cheers,
David