[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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