[gmx-users] Gromacs 4.6 compilation with Open64

David McGiven davidmcgivenn at gmail.com
Tue Jan 29 13:06:11 CET 2013

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- /opt/gromacs-4.6 -DGMX_BUILD_OWN_FFTW=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 :

But I still get the same error.


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