[Wien] Problem with testpara

Wien2k User wien2k.user at gmail.com
Tue Feb 21 21:45:53 CET 2017


Thank you very much

2017-02-21 19:00 GMT+01:00 Wien2k User <wien2k.user at gmail.com>:

> 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>:
>
>> 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>:
>>
>>> 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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