[Q-e-developers] problem in cppp.x executable
Devendra Kumar Dubey
ddubey at purdue.edu
Sun Feb 6 05:30:30 CET 2011
Dear QE Developers,
I am getting an error while post processing using cppp.x
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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.
Before I go ahead and request the computational resource team to recompile espresso with modified code, I thought it would be better to confirm with espresso developers about this issue. Is this bug already fixed in the newer version? or am I getting this error due to some other reasons.
Thank you for your time and attention,
~Devendra
Graduate Research Student
School of Aeronautics & Astronautics
Purdue University
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