[Pw_forum] Error using cppp.x

Devendra Kumar Dubey ddubey at purdue.edu
Sun Feb 6 22:35:59 CET 2011

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


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,

Graduate Research Student
School of Aeronautics & Astronautics
Purdue University

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