[Wien] best configuration of wien2k on Opteron

[T.Yamamoto]

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
------------------------