The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Hanan,

On 21 Aug 2006, at 12:32, ha sa wrote:

> Dear abinit users,
>
> I want to ask about response function calculations,
> in cases where I need the DDBs for a large number of
> q points or datasets,in order to save time,can I
> divide the datasets (in my case 52) on individual PCs
> (not parallel) each with a different group of datasets
> and get the DDBs safely, as if they where in a single
> run?

You can indeed split the work related to the response-function part.
You assign one perturbation to each PC, and each of them
will generate one DDB, then you have to use the mrgddb
utility to merge the 52 DDBs into one, that you can analyze
thanks to ANADDB.

Please, consult
http://www.abinit.org/Infos_v5.2/users/mrgddb_help.html ,
and examine automatic test cases v2#14 and v2#15 ,
where there is an example of a merge of three DDBs into one,
then its analysis ...

Good luck,
Xavier



> attached is my input file.
>
> Thanks in advance
> Hanan
>
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