[Pw_forum] Problem in restart file and ion_positions

Alex alexferreira_ans at yahoo.com.br
Thu May 22 22:30:23 CEST 2014


Dear everybody!!
  
Sorry for bothering you! 

I performed cp.x simulation for 
a few weeks. When I needed
restart it, it showed the 
the following message:

%%% %%% %%% %%%% %%%% %%%% %%%%
from cp_readfile : Error # 3
cannot read positions from restart file   
%%% %%% %%% %%%% %%%% %%%% %%%%

Well, to avoid the loss of my directory restart, 
i took the last positions in the POS 
file and updated the input file using the 
comand below in the card &IONS:

ion_positions = 'from_input' (2),


Unfortunately, the code continues to try 

read the positions of the restart file 
and do not seem to read the 
recommendation (2) above, and I do not 
understand the XML file to do something.

Does anyone know something about this?


Alex.
Theoretical chemistry studant.
Universidade Federal de Goiás.
Brazil.
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