[Pw_forum] How to restart ph.x calculation?

[Alexander G. Kvashnin]

I check it, it works.

Thank you!

On 10 April 2011 21:06, Sanjeev Gupta <physics.skgupta at gmail.com> wrote:

> it works fine.
> best regards
> sanjeev
>
> On Sun, Apr 10, 2011 at 9:31 PM, Eyvaz Isaev <eyvaz_isaev at yahoo.com>wrote:
>
>> Dear Alexandr,
>>
>> Use start_q and last_q  keywords in ph.in file.  start_q is the point for
>> which calculations were interrupted. last_q - a point to be calculated.
>>
>> There are also start_irr and last_irr  (irr - irreducible representation)
>> keywords to continue calculations  for the interrupted  q-points. But I
>> never used these keywords and not sure they
>> will work if temporary files are lost.
>>
>> Please see /Doc/INPUT_PH.txt file.
>>
>> Bests,
>> Eyvaz.
>>
>> -------------------------------------------------------------------
>> Prof. Eyvaz Isaev,
>> Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
>> Sweden
>> Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
>> Russia,
>> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
>>
>>
>> ------------------------------
>> *From:* Alexander G. Kvashnin <agkvashnin at gmail.com>
>> *To:* PWSCF Forum <pw_forum at pwscf.org>
>> *Sent:* Sun, April 10, 2011 5:32:57 PM
>> *Subject:* [Pw_forum] How to restart ph.x calculation?
>>
>> Dear QE users,
>>
>> I have a little question about calculation of dynamical matrices using
>> ph.x code.
>> Calculations of dynamical matrices take much machine time, and not always
>> I have enough machine time to complete calculations, and my calculation
>> interrupted.
>> How can I restart my job with the interrupted step?
>>
>>
>> Thank you!
>>
>> --
>> Sincerely yours
>> *Alexander G. Kvashnin*
>>
>> --------------------------------------------------------------------------------------------------------------------------------
>> Student
>> Moscow Institute of Physics and Technology          http://mipt.ru/
>> 141700, Institutsky lane 9, Dolgoprudny, Moscow Region, Russia
>>
>> Junior research scientist
>> Technological Institute for Superhard
>> and Novel Carbon Materials
>> http://www.ntcstm.troitsk.ru/
>> 142190, Central'naya St. 7a, Troitsk, Moscow Region, Russia
>> ================================================================
>>
>>
>>
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>>
>
>
> --
> *Dr. Sanjeev Kumar Gupta*
> *Post Doctoral Fellow,
> (Ministry of New and Renewable Energy)
> Department of Physics,
> Bhavnagar University, Bhavnagar-364 022
> Gujarat, India*
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
Sincerely yours
*Alexander G. Kvashnin*
--------------------------------------------------------------------------------------------------------------------------------
Student
Moscow Institute of Physics and Technology          http://mipt.ru/
141700, Institutsky lane 9, Dolgoprudny, Moscow Region, Russia

Junior research scientist
Technological Institute for Superhard
and Novel Carbon Materials
http://www.ntcstm.troitsk.ru/
142190, Central'naya St. 7a, Troitsk, Moscow Region, Russia
================================================================
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