[Wien] Parallel PBS script for Wien2k

[Peter Blaha]

You can have a look at our faq-page (at www.wien2k.at) for a mixed 
k-point/mpi-parallelization.

Because remember: for small systems, an mpi-parallel run can be MUCH 
slower than a k-parallel one.

On 05/13/2013 06:44 AM, Kondaiah Samudrala wrote:
> Dear all,
>
> I installed  Wien2k-12  in my HPC cluster with mpiifort and FFTW3. Now,
> i want run my calculations with PBS script for complete parallelization.
> Here with i am attaching the script and please give your suggestions or
> modifications for efficient run.
>
> with regards
> S.Appalakondaiah
>
>
>
>
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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: 
http://info.tuwien.ac.at/theochem/
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