[gmx-users] compilation problem: gromacs 4.5 double precision

Szilárd Páll szilard.pall at cbr.su.se
Tue Sep 14 18:30:39 CEST 2010


Hi David,

Are you sure you're using gcc 3.4? Because if you are, I'd strongly
suggest that you switch to 4.x!

Cheers,
--
Szilárd



On Tue, Sep 14, 2010 at 5:21 PM, David Parcej
<parcej at biochem.uni-frankfurt.de> wrote:
> Hi all.
> I have a problem building the double (but not single) precision version of
> gromacs 4.5 on an AMD "instanbul" based system.
> compiler is gcc3.4, configure line: ./configure --prefix=/home/gromacs451
> -program-suffix=_d --disable-float --enable-double
>
> and the error:
> In file included from nb_kernel400_x86_64_sse2.c:24:
> ../../../../include/gmx_sse2_double.h: In function `gmx_mm_sincos_pd':
> ../../../../include/gmx_sse2_double.h:457: warning: implicit declaration of
> function `_mm_castsi128_pd'
> ../../../../include/gmx_sse2_double.h:457: error: invalid initializer
> ../../../../include/gmx_sse2_double.h:514: error: incompatible type for
> argument 1 of `_mm_and_pd'
> ../../../../include/gmx_sse2_double.h:515: error: incompatible type for
> argument 1 of `_mm_andnot_pd'
> ../../../../include/gmx_sse2_double.h:516: error: incompatible type for
> argument 1 of `_mm_and_pd'
> ../../../../include/gmx_sse2_double.h:517: error: incompatible type for
> argument 1 of `_mm_andnot_pd'
> make[5]: *** [nb_kernel400_x86_64_sse2.lo] Error 1
>
> Any ideas?
> cheers
> Dave
>
>
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