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

[Peter Blaha]

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
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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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