Looks like a compiler bug to me, and google agrees http://gcc.gnu.org/bugzilla/show_bug.cgi?id=47318.
Even if there were not this bug, we would strongly encourage you to get the better performance available from more recent versions of gcc. I was about to suggest 4.6 or newer, but the above URL suggests 4.6.0 has the same bug :-O. So go higher than that, or Intel's compiler. We will probably try detecting this at configure time in a future beta. Clearly our test matrix doesn't cover this case, but as Szilard has mentioned in another thread, the multiplicative explosion of possibilities for us to try to anticipate to make users' lives easier during installation makes our lives pretty tough :-) Mark On Mon, Dec 3, 2012 at 8:05 PM, sebastian < [email protected]> wrote: > 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 > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to [email protected]. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
