[Wien] Problem with testpara

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Feb 21 21:09:49 CET 2017


Just add the line

balance:

somewhere to .machines.


Am 21.02.2017 um 19:00 schrieb Wien2k User:
> Thank you very much for your answer
>
>
> I used this configuration because the nodes do not have the same
> performance (one machine faster than another)
>
> I copied lapwpara and it works very well but I would be grateful if you
> could explain to me how to use 'balance' with the new file lapwpara
>
> 2017-02-21 15:01 GMT+01:00 Wien2k User <wien2k.user at gmail.com
> <mailto:wien2k.user at gmail.com>>:
>
>     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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-- 
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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    WIEN2k: http://www.wien2k.at
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