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

[Jochen Hub]

Am 12/20/12 9:45 PM, schrieb 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)?

This is a quite old cluster at a computing center for which the 
compilers were not updated for a while by the administrators. But I'll 
contact them and ask for more recent compilers.

Thanks,
Jochen


>
> --
> Szilárd
>
>
> On Thu, Dec 20, 2012 at 9:27 PM, Jochen Hub <jhub at gwdg.de
> <mailto: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 <tel:%2B49-551-39-14189>
>     http://cmb.bio.uni-goettingen.__de/ <http://cmb.bio.uni-goettingen.de/>
>     ------------------------------__---------------------
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>
>
>

-- 
---------------------------------------------------
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/
---------------------------------------------------