[gmx-users] ERROR while compiling gromacs4.6.1

Golshan Hejazi golshan.hejazi at yahoo.com
Wed Sep 11 05:09:23 CEST 2013


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-   /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 \
-DCMAKE_CXX_COMPILER=/usr/mpi/gcc/openmpi-1.4.1/bin/mpicxx \
-DCMAKE_C_COMPILER=/usr/mpi/gcc/openmpi-1.4.1/bin/mpicc \

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

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