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

[Richard Broadbent]

Hi Ronald,

Using intel-suite/64/2013.0/079 with mkl with the release-4-6 branch 
version:

f3dd8cb7ae23accff657551523d05657262a72ff

gave no compiler warnings for

$ 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 -DCMAKE_INSTALL_PREFIX=/home/rb1109/libs/gromacs/bin  ../

$ make -j8 mdrun
$ make install-mdrun


Thanks,

Richard



On 15/01/13 18:42, Roland Schulz wrote:
> 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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>>
>
>