The only reason I can think of for this behavior is a known incompatibility
in the definition of complex function "zdotc":
"... 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}."
Noncolinear calculations make usage of zdotc, unlike other cases where
matrix-vector or matrix-matrix operations are preferredPaolo On Sun, Feb 11, 2018 at 4:27 PM, Yasser Fowad AlWahedi <[email protected]> wrote: > Hi Paolo, > > 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. > > 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. > > Yasser Al Wahedi > Khalifa University > Assistant Professor > > Get Outlook for Android <https://aka.ms/ghei36> > > > > From: Paolo Giannozzi > Sent: Friday, 9 February, 15:14 > Subject: Re: [Pw_forum] "Segmentation fault" Error in KDOS > To: PWSCF Forum > > > On Mon, Jan 29, 2018 at 8:54 AM, Mohammed Ghadiyali <[email protected]> > wrote: > > > This error only occurs if I am performing KDOS calculation along with > spin-orbital coupling. > > [...] Quantum ESPRESSO version 5.4.0 > > > that's almost two years old. Any evidence that the problem persists in > more recent QE versions? > > Paolo > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > <https://maps.google.com/?q=Udine,+via+delle+Scienze+208,+33100+Udine,+Italy&entry=gmail&source=g> > Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222 > <+39%200432%20558222> > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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