[gmx-users] Re: question about fftw3 in gromacs 4.6 installation

[Szilárd Páll]

On Sat, Feb 2, 2013 at 10:12 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> On Sat, Feb 2, 2013 at 8:48 PM, Tomek Wlodarski
> <tomek.wlodarski at gmail.com>wrote:
>
> > Thanks Szilárd, good idea:)
> > I tried to build gromacs and I got errors..:
> >
> > /tmp/ccBvi1my.s: Assembler messages:
> > /tmp/ccBvi1my.s:110: Error: no such instruction: `vpcmov
> > %xmm13,%xmm5,%xmm14,%xmm10'
> > [...]
> > make[2]: *** [src/gmxlib/CMakeFiles/gmx.dir/ewald_util.c.o] Error 1
> > make[2]: *** Waiting for unfinished jobs....
> > /tmp/ccncRj9M.s: Assembler messages:
> > /tmp/ccncRj9M.s:431: Error: no such instruction: `vpshad
> %xmm3,%xmm0,%xmm1'
> > [....]
> > make[2]: *** [src/gmxlib/CMakeFiles/gmx.dir/bondfree.c.o] Error 1
> > make[1]: *** [src/gmxlib/CMakeFiles/gmx.dir/all] Error 2
> > make: *** [all] Error 2
> >
> > Any idea?
> >
>
> Your compiler is probably buggy. Try a more recent one.
>
>
I'm not entirely sure about that especially that the above is an assembler
error, not a compiler one.


>
> > Gromacs confirguration with cmake went ok appart from:
> >
> > -- Check size of bool - failed
> > -- Performing Test _isfinite_compile_ok - Failed
> > -- Performing Test _finite_compile_ok - Failed
> >
> > I do not know if those are related to building errors..
> >
>
> Software build systems run a bunch of tests and react to what they learn. A
> failed test is not of itself indicative of a problem (unless the authors
> screw up, of course...)
>

Just to extend Mark's comment: certain functionalities are implemented by
different compilers with functions/variables/macros that have different
names. Instead of guessing what the name of e.g a function should be, these
test simply check all possibilities and typically fail for all but the one
name that works. Therefore, the above two failure don't mean that the
"isfinite" function is not available and in fact with gcc 4.7.2 the
"isfinite" test should pass and the "_isfinite" and "_finite" are expected
to fail.

Cheers,
--
Szilárd



>
> Mark
> --
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