[gmx-users] Installing 4.6 beta1

[sebastian]

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