[Pw_forum] question about electron phonon calculation

[Gabriele Sclauzero]

Huiqun Zhou wrote:
> Gabriele,
> 
> Sorry for my ignorance of developer's fast tempo. I asked a question about
> q-point parallization in using ph.x nearly one year ago, and got the 
> following
> answer:
 >
 > http://www.democritos.it/pipermail/pw_forum/2008-April/008667.html
 >
 > It seems things change faster. Thnaks for the effort.

OK, wait, there is maybe a misunderstanding here: k-point parallelization (the one which 
is often refered to as "pools parallelization" and can be enabled by the -npool flag) is 
different thing from q-point parallelization of phonon dispersion calculations.
The former is the analogous to the pools parallelization of total energy calculations with 
pw.x and is available since long time ago, while the latter has been added only recently 
to the phonon code.
It is available in the 4.1-CVS version and is enabled through the keywords start_q, last_q 
(see INPUT_PH).

GS


> 
> Huiqun Zhou
> 
> 
> ----- Original Message ----- 
> From: "Gabriele Sclauzero" <sclauzer at sissa.it>
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Sent: Monday, March 09, 2009 5:04 PM
> Subject: Re: [Pw_forum] question about electron phonon calculation
> 
> 
>> hqzhou wrote:
>>> It simply means that using pools in phonon calculation is meaningless.
>> Why do you say this? Phonon calculations with pools parallelization is 
>> implemented and
>> works properly! Why should it be meaningless?
>>
>> The error message report you were refering to:
>>
>>  from elphsum : error #         1
>>
>>  pools and a2F not implemented
>>
>> does not come from a phonon calculation (which can be done using pools), 
>> but from an
>> electron-phonon coupling calculation, which has not yet been parallelized 
>> with pools
>> (while distributed FFT parallelization should be already working).
>>
>> GS
>>
>>> But it may not be the main cause of your error.
>>>
>>> Dr. Huiqun Zhou
>>> @Earth Sciences, Nanjing University, China
>>>
>>>
>>> _______________________________________________
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>>> Pw_forum at pwscf.org
>>> http://www.democritos.it/mailman/listinfo/pw_forum
>>>
>> -- 
>>
>>
>> o ------------------------------------------------ o
>> | Gabriele Sclauzero, PhD Student                  |
>> | c/o:   SISSA & CNR-INFM Democritos,              |
>> |        via Beirut 2-4, 34014 Trieste (Italy)     |
>> | email: sclauzer at sissa.it                         |
>> | phone: +39 040 3787 511                          |
>> | skype: gurlonotturno                             |
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> 
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-- 


o ------------------------------------------------ o
| Gabriele Sclauzero, PhD Student                  |
| c/o:   SISSA & CNR-INFM Democritos,              |
|        via Beirut 2-4, 34014 Trieste (Italy)     |
| email: sclauzer at sissa.it                         |
| phone: +39 040 3787 511                          |
| skype: gurlonotturno                             |
o ------------------------------------------------ o