<div dir="ltr">Dear all,<div><br></div><div>I had a crash problem in running virtual.x within qe-5.4.0. Actually, two or three years ago I have ever used virtual.x to mix PPs. At that time it could run well within qe-4.3.2. Could you give me some suggestions on the current problem?</div><div><br></div><div>Virtual.x was run in a command line mode, and the errors were</div><div><b><br></b></div><div><div><b> Generate the UPF pseudopotential for a virtual atom</b></div><div><b> combining two pseudopootentials in UPF format</b></div><div><b><br></b></div><div><b>  Input PP file #  1 in UPF format > O.pz-n-rrkjus_psl.1.0.0.UPF</b></div><div><b>  IOS=            0           1           4</b></div><div><b>  Reading pseudopotential file in UPF format...</b></div><div><b><br></b></div><div><b> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</b></div><div><b>     Error in routine scan_begin (1):</b></div><div><b>     No HEADER block</b></div><div><b> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</b></div><div><b><br></b></div><div><b>     stopping ...</b></div><div><b>Attempting to use an MPI routine before initializing MPI</b></div></div><div><div><br></div><div><br></div><div><br></div><div>Bests</div><div>Fang</div><div><br></div><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr">------------------------------------------------------------------------------------------------------------<div>Yue-Wen FANG, PhD student<div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal University</a>, China</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">Japan Fine Ceramics Center, Japan</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><br></div></div><div><br></div><div><br></div></div></div></div></div></div></div></div>
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