[Wien] Problem with testpara

Wien2k User wien2k.user at gmail.com
Tue Feb 21 14:39:31 CET 2017


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>:

> 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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