<div dir="ltr"><div><div>The only reason I can think of for this behavior is a known incompatibility in the definition of complex function "zdotc":<br>"... Note that a similar problem with complex functions exists with MKL libraries as well: if you compile with gfortran, link \texttt{-lmkl\_gf\_lp64}, not \texttt{-lmkl\_intel\_lp64}, and the like for other architectures. Since v.5.1, you may use the following workaround: add preprocessing option \texttt{-Dzdotc=zdotc\_wrapper} to \texttt{DFLAGS}."<br></div>Noncolinear calculations make usage of zdotc, unlike other cases where matrix-vector or matrix-matrix operations are preferred<br><br></div>Paolo<br><div><div><br></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Sun, Feb 11, 2018 at 4:27 PM, Yasser Fowad AlWahedi <span dir="ltr"><<a href="mailto:yaalwahedi@pi.ac.ae" target="_blank">yaalwahedi@pi.ac.ae</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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Hi Paolo,<br>
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I have faced this problem in versions 6 and 6.2 if i compile them using gnu compilers and with intel mkl. The problem exists in projwfc executable and when running relativistic calculations.
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To circumvent this problem, I compiled qe with GNU compilers using the netlib math library. I use the compiled projwfc executable for any relativistic related calculations; e.g. projected DOS and k resolved DOS. Pw.x related computations works fine.<br>
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Yasser Al Wahedi <br>
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Khalifa University <br>
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Assistant Professor <br>
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Get <a href="https://aka.ms/ghei36" target="_blank">Outlook for Android</a></div>
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From: Paolo Giannozzi<br>
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Sent: Friday, 9 February, 15:14<br>
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Subject: Re: [Pw_forum] "Segmentation fault" Error in KDOS<br>
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To: PWSCF Forum<br>
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On Mon, Jan 29, 2018 at 8:54 AM, Mohammed Ghadiyali <<a href="mailto:m786g@live.co.uk" target="_blank">m786g@live.co.uk</a>> wrote:<br>
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This error only occurs if I am performing KDOS calculation along with spin-orbital coupling.
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[...] Quantum ESPRESSO version 5.4.0<br>
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that's almost two years old. Any evidence that the problem persists in more recent QE versions?<br>
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Paolo<span class="HOEnZb"><font color="#888888"><br>
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
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Univ. <a href="https://maps.google.com/?q=Udine,+via+delle+Scienze+208,+33100+Udine,+Italy&entry=gmail&source=g">Udine, via delle Scienze 208, 33100 Udine, Italy</a><br>
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Phone <a href="tel:+39%200432%20558216" value="+390432558216" target="_blank">+39-0432-558216</a>, fax <a href="tel:+39%200432%20558222" value="+390432558222" target="_blank">+39-0432-558222</a><br>
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