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

David Parcej parcej at biochem.uni-frankfurt.de
Tue Sep 14 17:21:51 CEST 2010


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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