Dear Users,
I am getting an error while post processing using cppp.x (car parinello post
processing executable)
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from cppp : error # 1
Cannot open file /scratch/......mypath...../cp_51.save/data-file.xml
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
So I searched in the QE forum about this and found out that Paolo has already
given a solution for this in the following post
http://www.democritos.it/pipermail/pw_forum/2008-May/009022.html
where he provides a modified version of fpmdpp.f90 file
I noticed that this was posted in May 2008. Currently I am using the version
4.2.1, which is installed on a computational cluster and unfortunately I do not
have permissions there to edit files. It seems unlikely that this bug is not
fixed in the newer versions of espresso. However the error I am getting is same
as discussed in the above post. I am not sure what other reason might be for
this error.
Any ideas? has anybody else come across this kind of error recently?
Before I go ahead and request the computational resource team to recompile
espresso with modified code, I thought it would be better to confirm the reason
for this error.
Thank you for your time and attention,
~Devendra
-
Graduate Research Student
School of Aeronautics & Astronautics
Purdue University
