[Wien] Problem with testpara

[Peter Blaha]

The parallelization strategy has been changed in wien2k_16, so that 
k-points are all distributed at once and with this fixed distribution 
the use of $SCRATCH is always possible.

If you can explain to me, WHY you would like to have such a distribution 
on a cluster, I may look into it. But otherwise, cp lapw1para_lapw from 
the old version to the new one ....


On 02/21/2017 03:01 PM, Wien2k User wrote:
> Thank you very much for your answer
>
> I tried this change but it gives the same thing (no change is made) but
> with wien2k_14 it changes and it does not give the same thing relatively
> to version 16.
>
> 2017-02-21 14:39 GMT+01:00 Wien2k User <wien2k.user at gmail.com
> <mailto:wien2k.user at gmail.com>>:
>
>     Dear Wien2k users,
>
>     I am still waiting for an answer from Prof P.Blaha or Wien2k users.
>
>     2017-02-20 1:28 GMT+01:00 Wien2k User <wien2k.user at gmail.com
>     <mailto:wien2k.user at gmail.com>>:
>
>         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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