[Wien] best configuration of wien2k on Opteron

[L. D. Marks]

Did you ever send Peter benchmarks for the speed -- this would be useful.

On Fri, 11 Mar 2005, T.Yamamoto wrote:

> Dear Kevin,
>
> We have used WIEN2k on dual Opteron machines for more than
> one year.
>
> We also use Suse linux 9. PGI fortran compiler with acml
> (AMD Core Math kernel Library) were used to build the excutables.
> PGI F90 v5.0, 5.1 and 5.2 were OK with both acml2.0 and 2.1.
>
> Followings are the options for the compilations except for lapw2.
>
> current:FOPT:-Mfreeform -fast -Kieee
> current:FPOPT:-Mfreeform -fast -Kieee
> current:LDFLAGS:-L/opt/acml/pgi64
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lacml
>
> Only for lapw2, optimazation level must be lower to -O1 instead
> of -fast (-fast corresponds to -O2).
>
> These configurations are very stable and available for AMD Athlon64 too.
>
> I hope these informations are useful for you and others who wish
> to use Opteron and/or Athlon64.
>
> best regard,
>
> Tomoyuki
>
>
> --- wien at zeus.theochem.tuwien.ac.at ---
>
>
> >Dear all,
> >
> >we have acquired a new system consisting of dual Opteron machines running Suse linux v. 9.1.
> >Obviously, we want to run wien2k on it.
> >
> >There've been quite a few opteron threads on the ML, but as far as I can see, these mention problems only, not solutions.
> >
> >Who can tell us of a fully functional configuration?  That is, which fortran compiler and math libraries, and which compiler/linker - options?
> >
> >(Additionally, information on persisting problems could be useful.)
> >
> >Thank you for your help,
> >
> >Kevin.
> >
> >
> >Kevin Jorissen
> >
> >EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
> >Dept. of Physics
> >
> >UA - Universiteit Antwerpen
> >Groenenborgerlaan 171
> >B-2020 Antwerpen
> >Belgium
> >
> >tel  +32 3 2653249
> >fax + 32 3 2653257
> >e-mail kevin.jorissen at ua.ac.be
> >
>
> ------------------------
>    Tomoyuki Yamamoto
>    Kyoto University
>   Tel +81-75-753-5435
>   Fax +81-75-753-5447
> ------------------------
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>

-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L - marks @ northwestern . edu
http://www.numis.northwestern.edu
-----------------------------------------------