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

[Szilárd Páll]

Hi,

The truth is that we've stopped testing with icc 11, it must have been at
least a year ago when I tried 11.1 last time and got tons of warnings, but
it did compile. The combination of mvapich2 + icc 11.0 might very well not
compile at all.

Is there any particular reason for not using some newer compier/MPI
(OpenMPI + gcc should work well)?

--
Szilárd


On Thu, Dec 20, 2012 at 9:27 PM, Jochen Hub <jhub at gwdg.de> wrote:

> 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
> Woodcrest
> -- Performing Test CFLAGS_SSE2 - Failed  # ????
> -- Enabling SSE2 Gromacs acceleration, and it will help compiler
> optimization.
> -- Performing Test GNU_SSE2_CFLAG - Failed   (not sure if that is expected
> when using icc)
>
> When compiling with mvapich2, I get the error
>
> /usr/users/cmb/shared/src/gmx/**gromacs/include/types/../gmx_**cpuid.h(260):
> 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 CMAKE_PREFIX_PATH=$FFTW_**LOCATION
> export LANG=C
> $cmake /usr/users/cmb/shared/src/gmx/**gromacs \
>     -DCMAKE_INSTALL_PREFIX=$(pwd) \
>     -DGMX_X11=OFF \
>     -DCMAKE_C_COMPILER=$CC \
>     -DCMAKE_CXX_COMPILER=$CXX \
>     -DGMX_MPI=ON \
>     -DGMX_GPU=OFF \
>     -DGMX_PREFER_STATIC_LIBS=ON \
>     -DGMX_GIT_VERSION_INFO=OFF
>
> Any ideas what the error and the cmake output means?
>
> Many thanks,
> Jochen
>
>
> --
> ------------------------------**---------------------
> 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
> http://cmb.bio.uni-goettingen.**de/ <http://cmb.bio.uni-goettingen.de/>
> ------------------------------**---------------------
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