[gmx-users] Compilation error - GROMACS 4.5.1

[Shachi Katira]

Hi all,

I get the following errors when I try to compile the double precision
version of GROMACS 4.5.1 using:

./configure --prefix=/home/shachi/gromacs --enable-double
--with-fft=fft3 --without-x

Errors:

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'

A similar query was posted two weeks ago
(http://lists.gromacs.org/pipermail/gmx-users/2010-September/053984.html).
I'm having the same problem in spite of using gcc 4.4.4.

I'm using CentOS 4, gcc 4.4.4 on an AMD Opteron 285 (x86_64). The FFTW
version I'm using is 3.2.2.

It, however, compiles fine on an Intel Xeon 5462 (IA32) machine
running MacOS 10.5, gcc 4.4.4.

Thanks.

-Shachi
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