<div dir="ltr"><div>Hi Lorenzo, the patch will be made available but will not go into the development branch: there is nothing wrong with the code, it's a problem of some old-ish compilers.</div><div><br></div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Mar 24, 2019 at 3:26 PM Lorenzo Paulatto <<a href="mailto:paulatz@gmail.com">paulatz@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto">Hello Pietro, <div dir="auto">Is this patch already in the git developer branch? Because I am getting a similar segfault on Bluegene with xlf, and I would like to test if the patch fixes it. Cheers <br><br><div dir="auto">-- <br>Lorenzo Paulatto<br>Written on a virtual keyboard with real fingers</div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, 22 Mar 2019, 17:16 Pietro Davide Delugas, <<a href="mailto:pdelugas@sissa.it" target="_blank">pdelugas@sissa.it</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div bgcolor="#FFFFFF">
<div class="gmail-m_-6667687110867118868m_-7375920767393983242moz-cite-prefix">Hello <br>
could you try the attached patch ? <br>
<br>
copy the file in the q-e topdir and type <br>
<br>
patch -p1 --merge < patch_old_intel <br>
<br>
in case you wanted to undo the patch <br>
<br>
patch -R -p1 --merge < patch_old_intel <br>
<br>
please let me know if it works <br>
regards Pietro <br>
<br>
On 03/22/2019 04:56 PM, Paolo Giannozzi wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div>Some versions of the intel compiler miscompile the recently
modified XML code. A patch will be released soon. Your
make.inc is perfectly fine</div>
<div> </div>
<div>Paolo<br>
</div>
<br>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Fri, Mar 22, 2019 at 4:42
PM Hari Paudyal <<a href="mailto:hpaudya1@binghamton.edu" rel="noreferrer" target="_blank">hpaudya1@binghamton.edu</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">Dear experts,
<div><br>
</div>
<div>After the successful
installation of qe-v6.4, pw.x
gives segmentation fault after
when it prints the first few lines
as;</div>
<div><br>
</div>
<div>
<div> Parallel version (MPI),
running on 1 processors</div>
<div><br>
</div>
<div> MPI processes
distributed on 1 nodes</div>
<div> Waiting for input...</div>
<div> Reading input from
standard input</div>
<div><br>
</div>
<div> Current dimensions of
program PWSCF are:</div>
<div> Max number of different
atomic species (ntypx) = 10</div>
<div> Max number of k-points
(npk) = 40000</div>
<div> Max angular momentum in
pseudopotentials (lmaxx) = 3</div>
<div>forrtl: severe (174):
SIGSEGV, segmentation fault
occurred</div>
</div>
<div><br>
</div>
<div>I had no problem
compiling/running all the previous
versions (even some of the
development versions I have
installed on 15Oct2018,
20Jan2019). Since I am not an
expert, I do not know what has
been changed in the process of
installation in this new released
version v6.4, but I am pretty sure
that nothing has been changed in
my cluster regarding
compilers/libraries. For info, I
am using
intel/composer_xe_2013.1.117.</div>
<div><br>
</div>
<div>Further, If I look more
carefully to the make.inc files
generated after ./configure
between qe-v6.3 and qe-v6.4, I
found the following differences;</div>
<div><br>
</div>
<div># TOPDIR = /home/hari/qe-6.3<br>
</div>
<div>DFLAGS = -D__FFTW
-D__MPI </div>
<div>
<div>LIBS = $(CUDA_LIBS)
$(SCALAPACK_LIBS) $(LAPACK_LIBS)
$(FOX_LIB) $(FFT_LIBS)
$(BLAS_LIBS) $(MPI_LIBS)
$(MASS_LIBS) $(HDF5_LIB)
$(LD_LIBS)</div>
</div>
<div># Install directory - not
currently used <br>
</div>
<div><br>
</div>
<div># TOPDIR = /home/hari/qe-6.4<br>
</div>
<div>DFLAGS = -D__DFTI
-D__MPI <br>
</div>
<div>
<div>LIBXC_LIBS =</div>
<div>QELIBS = $(CUDA_LIBS)
$(SCALAPACK_LIBS) $(LAPACK_LIBS)
$(FOX_LIB) $(FFT_LIBS)
$(BLAS_LIBS) $(MPI_LIBS)
$(MASS_LIBS) $(HDF5_LIB)
$(LIBXC_LIBS) $(LD_LIBS)</div>
</div>
<div># Install directory - "make
install" copies *.x executables
there<br>
</div>
<div><br>
</div>
<div>If I have understood correctly,
the problem is due to the MPI
library. Also, the pw_user_guide
says "MPI libraries need to be
properly configured"
(pw_user_guide-v6.4_page_20). But,
why the previous versions work
fine and the problem occurred only
on this new released version v6.4?
How this can be solved?</div>
<div><br>
</div>
<div>I will be happy to see any
comments/suggestions from experts.</div>
<div><br>
</div>
<div>Thank you,</div>
<div>Hari Paudyal</div>
<div>SUNY-Binghamton</div>
<div><br>
</div>
<div><br>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
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<br>
-- <br>
<div dir="ltr" class="gmail-m_-6667687110867118868m_-7375920767393983242gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>Paolo Giannozzi, Dip. Scienze Matematiche
Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
</div>
</div>
</div>
</div>
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<br>
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