[Pw_forum] Splitting phonon calculation over q point and irr

[Rui Mao]

Hi Dr. Paolo Giannozzi

The symbolic link works well, and I do not need to copy PREFIX.save around
now.
Thank you for your help!

Best,
Rui

On Wed, May 16, 2012 at 3:58 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On May 15, 2012, at 23:19 , Rui Mao wrote:
>
>  Before you can split the job over q points and representations,
>> you have to copy PREFIX.save (which is generated by scf calculation)
>> to each sub directories where you want to do the ph calculation
>> separately.
>> If the system is slightly large (more 20 atoms in unit cell), the
>> PREFIX.save
>> will be several GBs
>>
>
> if you have a parallel file system (i.e. one that is visible to all
> processors), it
> might be sufficient to create symlinks. I don't know how this stuff is
> working
> now: just guessing
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
>


-- 
Rui Mao
============================================================
Department of Electrical and Computer Engineering (ECE)
North Carolina State University (NCSU)
Raleigh, NC, 27606
Email: rmao at ncsu.edu
Email: ruimao20 at gmail.com
============================================================
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