<div dir="ltr">Please try the following: in PW/src/pw_restart.f90, subroutine read_wavefunctions, remove lines 2468-2475:<br><br> IF ( iunwfc > 0 ) THEN<br> !<br> INQUIRE( UNIT = iunwfc, OPENED = opnd )<br> !<br> IF ( .NOT. opnd ) CALL errore( 'read_wavefunctions', &<br> & 'wavefunctions unit (iunwfc) is not opened', 1 )<br> END IF<br><br>Thank you for reporting this problem.<br><br>Paolo<br><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Aug 31, 2016 at 10:02 PM, Jia Chen <span dir="ltr"><<a href="mailto:jiachenchem@gmail.com" target="_blank">jiachenchem@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div>Dear Paolo,<br><br>1) v.5.4.0<br></div>2) serial<br></div>3) not applicable<br>4) yes, wf_collect = .True.<br><br></div>appreciate it.<br><br></div>Cheers<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Aug 31, 2016 at 3:48 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr"><div><div>Dear Jia<br><br></div>1) which version of the code are you using?<br><div><div>2) parallel or serial execution?<br></div>3) if parallel, are you writing to/reading from a parallel file system?<br></div>4) have you used the "wf_collect" option?<br><br></div><div>Paolo<br></div></div><br></div><div class="gmail_extra"><br><div class="gmail_quote"><div><div>On Wed, Aug 31, 2016 at 8:41 PM, Jia Chen <span dir="ltr"><<a href="mailto:jiachenchem@gmail.com" target="_blank">jiachenchem@gmail.com</a>></span> wrote:<br></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div><div dir="ltr"><div><div>Dear All,<br><br></div>I am having troubles with restarting calculations with existing wavefunctions. I have restart_mode = 'from_scratch', outdir = './' wfcdir = './' and startingwfc = 'file'. Wave functions file are in './prefix.save/K00.../' And I keep getting error "wavefunctions unit (iunwfc) is not opened" <br></div><div>I would like to know how to let pwscf read existing wavefunction. Thank you very much.<br><br></div><div>Cheers<span><font color="#888888"><br></font></span></div><span><font color="#888888"><div>Jia<br></div></font></span></div>
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