[Wien] Speedup of WIEN2k compillation

shaposh@isp.nsc.ru shaposh at isp.nsc.ru
Tue Oct 24 12:32:24 CEST 2006


I want to test different compiler options.

Best Regards,
A.Shaposhnikov

On Tuesday 24 October 2006 17:30, Torsten Andersen wrote:
> Excuse me... hahahahaha... but I guess that then you have to do the
> recompiling manually. After configuring the parameters, exit the
> siteconfig. Change to SRC_lapw1, etc., and type "make real" (each in a
> separate shell), thereafter "make complex", and so on... you can not
> make real and complex at the same time, but lapw1 and lapw2, etc., can
> be made in parallel.
>
> Of course I also want to know why you need to do this... in the new
> Wien2k (as opposed to Wien97) you should only need to compile once.
>
> Best regards,
> Torsten Andersen.
>
> shaposh at isp.nsc.ru wrote:
> > Hello Mr. Andersen,
> >
> > You didn't understand me. I need to speed up compillation of WIEN2k
> > software itself.
> >
> > Best Regards,
> > A.Shaposhnikov
> >
> > On Tuesday 24 October 2006 17:16, Torsten Andersen wrote:
> >>Dear Mr. Schaposhnikov,
> >>
> >>yes, it is, and Wien2k supports two kinds of parallelization: MPI and
> >>k-point parallelization. k-point parallelization is almost always faster
> >>if you have more than 1 k-point. Read the UG and follow the setup
> >>instructions in siteconfig and userconfig.
> >>
> >>Best regards,
> >>Torsten Andersen.
> >>
> >>shaposh at isp.nsc.ru wrote:
> >>>Dear WIEN2k users,
> >>>is it possible and how to compile WIEN2k in parallel on SMP
> >>>machine?
> >>>Thanks.
> >>>
> >>>Best Regards,
> >>>A. Shaposhnikov
> >>>_______________________________________________
> >>>Wien mailing list
> >>>Wien at zeus.theochem.tuwien.ac.at
> >>>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
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