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

Tomek Wlodarski tomek.wlodarski at gmail.com
Sat Feb 2 22:16:26 CET 2013


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.
>

Actually, I am using gcc 4.7.2 :)

I could use less recent ;)


>
>
> > 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...)
>
> Mark
> --
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