[Pw_forum] [Support] Issue with cppp.x in QE CPMD

[Layla Martin-Samos]

Dear Erik, fisrt of all, support at qe-forge.org is no the proper mailing list
to ask questions about QE distribution. the mailing list support is
dedicated to problems with the development web portal qe-forge. For the
issue you are reporting with cp, it seems that cppp.x is not getting the
right outdir (.//cp_51.save/data-file.xml). Maybe you could try to specify
to whole path to outdir in the cppp input.

hope it helps, cheers

Layla

2012/11/28 Erik Wayne Lentz <lentze at uw.edu>

> Hello
>
> My name is Erik Lentz, a graduate student at the University of Washington
> in Seattle.
>
> I have been working through the CPMD tutorial linked from the QE website (
> http://www.fisica.uniud.it/~giannozz/QE-Tutorial/) on the Hopper
> supercomputer at NERSC, and have encountered a problem with running the
> post-processing part of the tutorial (
> http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_cp.html, in the
> electron density and atom randomization section). The given cppp.x input
> file (first attached), run from within the output directory of the wave
> function optimization (second attached) and in the examples_cp directory,
> crashes producing the following error
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #        21
>      from  cppp  : error #         1
>       IONS not found in data-file.xml
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> or
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #        10
>      from  cppp  : error #         1
>       Cannot open file .//cp_51.save/data-file.xml
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>  respectively.
>
> This is confusing in the second case as 'cp' is not the proper prefix, and
> in the first as IONS is found in the file it references (third attached)
>
> I am at a loss as how to proceed from here.
> Please let me know if I you need any more information.
> Thank you.
>
> Erik Lentz
>
> _______________________________________________
> Support mailing list
> Support at qe-forge.org
> http://qe-forge.org/mailman/listinfo/support
>
>
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