[Wien] Problem with testpara

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Feb 21 15:41:23 CET 2017


Ups ! I forgot (because it is not documented !):

put the keyword

balance:

into your .machines file. It should then work as before.

On 02/20/2017 01:28 AM, Wien2k User wrote:
> Dear Prof P.Blaha,
>
> I launched a calculation with 126 k-point under a cluster but when I run
> the testpara_lapw with wien2k_16 and wien2k_14 with the same machine
> file below, the first version attribute 6 k-point for each thread of
> machine-1 and 5 k-point for machine-2 and machine-3 but version 14
> assigns 8 k-point for machine-1  and 3 k-point for machine-2 and
> machine-3. The two versions do not give the same thing and I prefer the
> distribution of version 14. how to apply this distribution with version 16?
>
>
> .machines:
>
> 2 :machine-1
>
> 2 :machine-1
>
> 2 :machine-1
>
> 2 :machine-1
>
> 2 :machine-1
>
> 2 :machine-1
>
> 2 :machine-1
>
> 2 :machine-1
>
> 2 :machine-1
>
> 2 :machine-1
>
> 1 :machine-2
>
> 1 :machine-2
>
> 1 :machine-2
>
> 1 :machine-2
>
> 1 :machine-3
>
> 1 :machine-3
>
> 1 :machine-3
>
> 1 :machine-3
>
> 1 :machine-3
>
> 1 :machine-3
>
> 1 :machine-3
>
> 1 :machine-3
>
>
>
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-- 

                                       P.Blaha
--------------------------------------------------------------------------
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    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
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