[gmx-developers] Problems detecting SSE2 on a Xeon Woodcrest with 4.6

Jochen Hub jhub at gwdg.de
Thu Dec 20 21:27:19 CET 2012

Hi developers,

I try to compile the latest 4.6 either with an mvapich2 (based on icc 
11.0) on a Xeon Woodcrest. cmake gives the strange output:

-- Detecting best acceleration for this CPU - SSE2  # correct for a 
-- Performing Test CFLAGS_SSE2 - Failed  # ????
-- Enabling SSE2 Gromacs acceleration, and it will help compiler 
-- Performing Test GNU_SSE2_CFLAG - Failed   (not sure if that is 
expected when using icc)

When compiling with mvapich2, I get the error

error: identifier "FILE" is undefined
                                    FILE *                     log);

My cmake call is pretty normal (and yields cmake output):

source /usr/product/parallel/mvapich2/intel/bin/mpivars.sh
export CC=`which mpicc`     # looks ok
export CXX=`which mpicxx`   # also ok
export FFTW_LOCATION=/usr/users/jhub/opt/fftw/fftw33/nehalem/build

rm -fr CMakeFiles CMakeCache.txt cmake
export LANG=C
$cmake /usr/users/cmb/shared/src/gmx/gromacs \
     -DGMX_X11=OFF \
     -DGMX_MPI=ON \
     -DGMX_GPU=OFF \

Any ideas what the error and the cmake output means?

Many thanks,

Dr. Jochen Hub
Computational Molecular Biophysics Group
Institute for Microbiology and Genetics
Georg-August-University of Göttingen
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
Phone: +49-551-39-14189

More information about the gromacs.org_gmx-developers mailing list