Dear Erik, fisrt of all, <a href="mailto:support@qe-forge.org">support@qe-forge.org</a> 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. <div>
<br></div><div>hope it helps, cheers</div><div><br></div><div>Layla<br><br><div class="gmail_quote">2012/11/28 Erik Wayne Lentz <span dir="ltr"><<a href="mailto:lentze@uw.edu" target="_blank">lentze@uw.edu</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello<br><br>My name is Erik Lentz, a graduate student at the University of Washington in Seattle. <br><br>I have been working through the CPMD tutorial linked from the QE website (<a href="http://www.fisica.uniud.it/~giannozz/QE-Tutorial/" target="_blank">http://www.fisica.uniud.it/~giannozz/QE-Tutorial/</a>) on the Hopper supercomputer at NERSC, and have encountered a problem with running the post-processing part of the tutorial (<a href="http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_cp.html" target="_blank">http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_cp.html</a>, 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<br>
<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> task # 21<br> from cppp : error # 1<br> IONS not found in data-file.xml<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>or<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> task # 10<br> from cppp : error # 1<br> Cannot open file .//cp_51.save/data-file.xml<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br> respectively.<br><br>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)<br><br>I am at a loss as how to proceed from here.<br>
Please let me know if I you need any more information.<br>Thank you.<span class="HOEnZb"><font color="#888888"><br><br>Erik Lentz<br>
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