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

[Mark Abraham]

Thanks, that's expected. We've fixed some issues here.

Mark

On Wed, Jan 16, 2013 at 12:22 PM, Richard Broadbent <
richard.broadbent09 at imperial.ac.uk> wrote:

> Hi Ronald,
>
> Using intel-suite/64/2013.0/079 with mkl with the release-4-6 branch
> version:
>
> f3dd8cb7ae23accff657551523d056**57262a72ff
>
> 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<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 <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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