<div dir="auto"><div>If you've compiled with scalapack...see if running projwfc.x with more than one mpi proc but with the flag -northo 1 gives you the overlap matrix.</div><div dir="auto"><br></div><div dir="auto">If you haven't compiled with scalapack northo will always be set to 1.</div><div dir="auto"><br></div><div dir="auto">Andrew Supka</div><div dir="auto">Central Michigan University<br><div class="gmail_extra" dir="auto"><br><div class="gmail_quote">On Jan 20, 2018 8:33 PM, "Negar Ashari Astani" <<a href="mailto:negarastani@gmail.com">negarastani@gmail.com</a>> wrote:<br type="attribution"><blockquote class="quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">





<p class="m_-1796531224141334203inbox-inbox-p1"><span class="m_-1796531224141334203inbox-inbox-s1">Dear Kevin,</span></p>
<p class="m_-1796531224141334203inbox-inbox-p2">Could be! I figured out that whenever I run with only one processor everything is fine. However, the parallel implementation does not write the overlap matrix. Also the output format is different. So I ended up running projwfc.x only on one processor! Maybe there is something wrong with the compilation and MKL libraries as you said!</p>
<p class="m_-1796531224141334203inbox-inbox-p1"><span class="m_-1796531224141334203inbox-inbox-s1">Many thanks,</span></p>
<p class="m_-1796531224141334203inbox-inbox-p1"><span class="m_-1796531224141334203inbox-inbox-s1">Negar</span></p></div><div class="elided-text"><br clear="all"><br>-- <br><div dir="ltr" class="m_-1796531224141334203gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><span style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px">Negar Ashari-Astani, PhD</span><br style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px"><span style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px">Sharif university of technology,</span><br style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px"><span style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px">Department of Physics</span><br style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px"><span style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px">Room 624</span><br style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px"><span style="color:rgb(34,34,34);font-family:arial,verdana,sans-serif;font-size:12px">Tel: <a href="tel:+98%2021%206616%204504" value="+982166164504" target="_blank">(+98)2166164504</a></span><br></div></div>
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