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 <
[email protected]> 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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