The ABINIT Users Mailing List ( CLOSED )

[Emmanuel Arras <emmanuel.arras@cea.fr>]

yes, you can !


Abedalhasan Breidi a écrit :

COL118-W31344E4E58493EF913DA4491E00@phx.gbl" type="cite"> Deat abinit users and developers,

I had a phonon dispersion calculation jobs running on our cluster, but due to certain reasons (technical related to the cluster) the jobs eventually also stopped. The question is that :
Do I have to re-launch the calculation from the beginning (costly in time).
Or
can I collect the already finished DDB files in a separate directory, then edit the *.in file to comment the datasets referred to this already finished ones?  
and when using the MGRDDB and ANADDB utilities, is it enough to collect only for these to operate properly only in the presense of the DDB files.
  
 
Regards
--------------------------------------------------------------------------------------------------
 Abedalhasan BREIDI
 PhD student in Condensed Matter
 Université de Metz - Institut de Physique
 LABORATOIRE DE PHYSIQUE DES MILIEUX DENSES
 Adresse:1 Boulevard Arago- BP 87811
 57078 METZ CEDEX 3 - FRANCE
 http://www.univ-metz.fr/recherche/labos/lpmd/
 Abedalhasan.breidi@univ-metz.fr
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Emmanuel ARRAS
L_Sim (Laboratoire de Simulation Atomistique)
SP2M / INAC
CEA Grenoble
tel : 00 33 (0)4 387 86862