[gmx-users] Gromacs-4.6-beta3 compile warnings intel-suite 2011 and 2013

Roland Schulz roland at utk.edu
Tue Jan 15 19:42:15 CET 2013


Hi,

could you check if you get these warnings also with the latest version from
git? We have changed quite a bit sense then.

git clone https://gerrit.gromacs.org/p/gromacs

git checkout release-4-6


Roland


On Tue, Jan 15, 2013 at 9:34 AM, Richard Broadbent <
richard.broadbent09 at imperial.ac.uk> wrote:

> Dear All,
>
> I've just installed 4.6-beta3 on my ubuntu linux (Intel Xeon [sandy
> bridge]) box using both intel-suite/64/2011.10/319, and
> intel-suite/64/2013.0/079 with mkl
>
> Using either compiler I received several hundred warnings of type #120,
> #167, and #556 (see bellow for examples). I thought this might be
> vaguely related to Bug #1074, as these all appear to be casting
> warnings. A small test md simulation ran as expected so the executable
> seems to be working and it is using AVX_256 acceleration. I therefore
> don't think this justifies a bug report but I did think it might be
> worth flagging up that these warnings occur and asking if other people
> had seen them. If anyone has any recommendations for how to get rid of
> them or thinks that they are significant I would also be interested.
>
> Thanks,
>
> Richard
>
>
>
> my cmake line was:
>
> $ export CC=icc  ; export CXX=icpc ;  cmake -DGMX_MPI=OFF
> -DGMX_DOUBLE=ON -DGMX_GPU=OFF -DGMX_PREFER_STATIC_LIBS=ON
> -DGMX_FFT_LIBRARY=mkl -DMKL_INCLUDE_DIR=$MKLROOT/include
>
> -DMKL_LIBRARIES="$MKLROOT/lib/intel64/libmkl_core.so;$MKLROOT/lib/intel64/libmkl_intel_lp64.so;$MKLROOT/lib/intel64/libmkl_sequential.so"
> -DGMX_OPENMP=ON  ../
>
> and I then built it with:
>
> $ make -j8 mdrun
> $ make install-mdrun
>
> the Warnings are of the form:
>
>
> gromacs-4.6-beta3/src/gmxlib/nonbonded/nb_kernel_avx_256_double/kernelutil_x86_avx_256_double.h(80):
> warning #120: return value type does not match the function type
>        return gmx_mm256_set_m128(t2,t1);
>
>
> gromacs-4.6-beta3/src/gmxlib/nonbonded/nb_kernel_avx_256_double/kernelutil_x86_avx_256_double.h(204):
> warning #167: argument of type "__m128d" is incompatible with parameter
> of type "__m128"
>        t1   = gmx_mm256_set_m128(_mm_loadu_pd(p3),_mm_loadu_pd(p1)); /*
> c12c  c6c | c12a  c6a */
>
>
>
> gromacs-4.6-beta3/src/gmxlib/nonbonded/nb_kernel_avx_256_double/kernelutil_x86_avx_256_double.h(233):
> warning #556: a value of type "__m256" cannot be assigned to an entity
> of type "__m256d"
>        *x1 = gmx_mm256_set_m128(tx,tx);
> --
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>
>


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