[Wien] ifort + mkl on xeon cpu

[Peter Blaha]

Version composerxe-2011.3.174  works with all released WIEN2k versions, 
while newer versions of the Intel-compiler have some variable blocksizes 
and thus are not compatible with the "older"-WIEN2k.

The release 12.1 version should be compatible with newer ifor versions.

The default parameters in siteconfig should be ok.


On 12/12/2012 11:48 AM, David Holec wrote:
> Dear all,
>
> What is the currently recommended version of ifort+mkl for compiling Wien2k?
>
> Also, could anyone advice me on optimal compiler options for x64 Linux
> (openSuSE 12.1/12.2), Intel Xeon W3550 4core processor, 8GB RAM,
> single machine configuration (no MPI, only k-point parallelization).
>
> Thanks in advance!
> David
> --
> Dr. David Holec
> Dept. of Physical Metallurgy and Materials Testing
> University of Leoben
> Franz-Josef-Strasse 18
> A-8700 Leoben
> Austria
> tel. +43-(0)3842-4024211
> fax. +43-(0)3842-4024202
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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>

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 
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