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

[Szilárd Páll]

On Sat, Feb 2, 2013 at 10:16 PM, Tomek Wlodarski
<tomek.wlodarski at gmail.com>wrote:

> 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 ;)
>

Could you try compiling some other code with the "-mxop" compiler flag.
With this flag the compiler should generate the XOP instructions that cause
problems above (but it's not entirely sure that it will, I think).

--
Szilárd


>
> >
> >
> > > 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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