<div dir="ltr">Yeah, the pw.x run didn't save them in that folder.  Is there a way to tell pw.x to do that?  I can move this batch, but it would be nice if they were in the expected spot.<div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Dec 3, 2020 at 12:34 PM Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Yes, it's just looking for wavefunctions and it doesn't find them. My guess is that the problem is in the previous scf or non-scf 

step, or in a mismatch between expected and available file names<br></div><div><br></div><div>Paolo<br></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Dec 3, 2020 at 9:19 PM Aaron Friesz <<a href="mailto:friesz@usc.edu" target="_blank">friesz@usc.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Oh, I thought this was a restart file for a time constrained run.  But it's just looking for the wavefunction file created by pw.x?</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Dec 3, 2020 at 12:17 PM Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div dir="ltr">On Thu, Dec 3, 2020 at 7:07 PM Aaron Friesz <<a href="mailto:friesz@usc.edu" target="_blank">friesz@usc.edu</a>> wrote:</div><div dir="ltr"><br></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">     cannot open restart file /scratch/friesz/QE_GaAs/1-Tue_2020Dec01_0948/pwscf.save/wfc1 for reading<br><br><div>I would like to know why the program is trying to access this file</div></div></blockquote><div><br></div><div>because it contains the wavefunctions <br></div><div><br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div> and why it can't access this file</div></div></blockquote><div><br></div><div>because it's not there? why, hard to say<br></div><div> </div><div>Paolo</div></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div></div>
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