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

[Richard Broadbent]

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);