Hey Dear,
when I try to install the GROMACS-4.6-beta1 version I get an error which
I can not pin down when do make.
My system:
CPU: i7
GPU: NVIDIA GTX670
gcc: Debian 4.4.5-8
CUDA: 4.2
fft3w: 3.3.2 including sse2
Debian Linux 64-bit
First I do:
cmake ../ -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs_4.6
which works fine. When I do:
make -j6
I get a bunch of errors which look more or less the same:
gromacs-4.6-beta1/src/gmxlib/nonbonded/nb_kernel_avx_256_single/kernelutil_x86_avx_256_single.h:600:
error: incompatible type for argument 2 of ‘_mm_maskload_ps’
/usr/lib/gcc/x86_64-linux-gnu/4.4.5/include/avxintrin.h:919: note:
expected ‘__m128’ but argument is of type ‘__m128i’
or like:
gromacs-4.6-beta1/src/gmxlib/nonbonded/nb_kernel_avx_256_single/kernelutil_x86_avx_256_single.h:607:
error: incompatible type for argument 2 of ‘_mm_maskstore_ps’
/usr/lib/gcc/x86_64-linux-gnu/4.4.5/include/avxintrin.h:926: note:
expected ‘__m128’ but argument is of type ‘__m128i’
and it breaks with this output:
make[2]: ***
[src/gmxlib/CMakeFiles/gmx.dir/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_single.c.o]
Error 1
make[1]: *** [src/gmxlib/CMakeFiles/gmx.dir/all] Error 2
make: *** [all] Error 2
I don't know what goes wrong and maybe I just miss a flag.
Dears,
Sebastian
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