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

[Mark Abraham]

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.


> 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