[gmx-users] Problems installing gromacs

[Erik Lindahl]

listas at carcara.lncc.br wrote:

> Hi all
>
> I installed "fftw-2.1.3.tar.gz" with the follow parameters
>
> ./configure --enable-i386-hacks --enable-float --enable-mpi
>
> make
> make check
> make install
>
> and everything looks to be ok.
>
> I am trying install the package "gromacs-3.0.5.tar.gz" with the parameters
>
> ./configure --enable-mpi
>
> and everything looks to be ok, but when I will "make", I receive the follow
> error
>
> ar: x86_cpuid.o: No such file or directory
> make[3]: *** [libgmx_mpi.la] Error 1
> make[3]: Leaving directory `/local/gromacs-3.0.5/src/gmxlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/local/gromacs-3.0.5/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/local/gromacs-3.0.5/src'
> make: *** [all-recursive] Error 1

Hi Ricardo,

It is probably because you have a relatively old version of gcc (egcs)
that doesn't recognize the flag we use to have the .s file preprocessed.

I just found this in another case with egcs-1.1.2; the reason we
don't use .S files is that it won't work with other compilers (e.g. portland).

Anyway, I'm implementing a workaround for the next version. In the
meantime you can either upgrade the compiler or disable the x86
assembly loops with the option --disable-x86-asm; in any case you
won't be able to compile the SSE assemly instructions with an old
compiler (well, assembler actually :-).

Linux 2.2.x works splendid, but if you have a Pentium III or later
you can get much better (80-100%) performance by upgrading
the kernel to 2.4.x and use recent versions of binutils and gcc that
support SSE assembly.

Regards,

Erik