[Wien] How can i install wien2k on the doual xenon?

reza osaty reza.osaty at gmail.com
Wed Aug 17 05:39:46 CEST 2005


Dear Dr.Blaha
  Firstly; i thank you for your guidance 
Please explain this error that i see when i try to install wien2k on 
parallel mode, Error 127 .
and 
how can i solve this error "Lapw1para Permission denied "?
this error stage when i make .machines file and select k-point
on parallel .
 Best Regard 

 On 8/16/05, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote: 
> 
> There is absolutely NO benefit for using the SCALAPACK version on a single
> dual XEON system. You need at least !! 4 processors (with fast network)
> to start gaining anything.
> (The SCALPACK version is approximately twice slower than the serial 
> version,
> so with 2 processors you have similar speed than with one serial; and it
> needs twice the memory, so again with two processors you gain nothing.
> 
> Use k-point parallelism, or for just 1 k-point, use the thread-parallel
> goto-lib which will utilize both XEONS for a single job quite reasonable.
> 
> 
> > Dear All
> > i want to install wien2k on one dual xenon system .
> > i install MPI+SCALAPACK and BLAS and CBLAS on this . And i try 
> installing
> > ATLAS3.7.10 but i can't!!
> > When i'm installing wien i see Error 127 so i can't excute wien on 
> parralel
> > mode because
> > when write" run_lapw -p -cc x.xxx" i see this mesage " Lapw1para 
> Permission
> > denied ."
> > please guide me!
> > Best wishes
> >
> 
> 
> P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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