[QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE

[Niccolò Damian]

Dear Professor Giannozzi and dear Experts,
Thank You for Your kind reply.
I tried what you suggested at point 1. and tried then "make run-tests" in
the directory "test-suite", but I still got the "Segmentation fault" error
messages as before and again 157 tests out 234 passed (I'm working for the
time being with the 7.1 version since I made "veryclean" for the 7.2
version).

As for point 2., in the path "$(TOPDIR)/external/lapack/" I have neither
libblas.a nor liblapack.a (in the 7.1 version I have only two files .yml:
.appveyor.yml and .travis.yml; in the 7.2 version I have instead the
directories and files showed in this snapshot
https://drive.google.com/file/d/1W1o0iC67fUTLtQiEo3AZINpPcKStDeOe/view?usp=share_link
) and I did not modified such directory for both versions. What should I do?
As for blas I'm using the newest version of libblas3 (3.9.0-1build1), while
for lapack I'm using the newest version of liblapack-dev (3.9.0-1build1):
is the problem (as I guess) related to them?
Are they not suitable? Should I autoremove and reinstall other versions or
types?

I will proceed as You kindly suggested in point 3. once this problem has
been solved.


A side question: since now I'm trying to find from where the error arises
with these two versions in my PC, can I work at the same time with both the
two versions 7.1 and 7.2 configured and "made all" in two different
directories (at the same level) or should I (as I am doing now) work with
only one configured and "made all" (with the other one "made veryclean") at
a time?

Thank You again in advance.

Best regards,
Niccolò Damian
Physics Master student at University of Padua

Il giorno sab 20 mag 2023 alle ore 21:56 Paolo Giannozzi <
paolo.giannozzi at uniud.it> ha scritto:

> 0. I use since several years the Windows Subsystem for Linux as my main
> develop platform, so it works, no doubts.
>
> 1. Please verify whether this explains your problem:
> https://gitlab.com/QEF/q-e/-/wikis/Support/Segfault-with-gfortran-and-WSL
>
> 2. "configure" no longer recognizes options "--with-internal-blas" and
> "--with-internal-lapack". If you want to try whether the problem arises
> from pre-(badly-)compiled blas and lapack, edit make.inc as follows:
> BLAS_LIBS = $(TOPDIR)/external/lapack/libblas.a
> LAPACK = liblapack
> LAPACK_LIBS = $(TOPDIR)/external/lapack/liblapack.a
>
> 3. You may also try "./configure --enable-debug". It should at least say
> something more about the place where the code crashes.
>
> Paolo
>
>
> On 20/05/2023 13:23, Niccolò Damian wrote:
> >
> > You don't often get email from niccolo.damian at studenti.unipd.it. Learn
> > why this is important <https://aka.ms/LearnAboutSenderIdentification>
> >
> >
> > Dear Experts,
> > In the previous days I have tried to install Quantum espresso version
> > 7.2 in Ubuntu 20.04.6 LTS app in my Windows PC (I have Windows 10)
> > through Windows Subsystem for Linux.
> > There I have the version 9.4.0 of gfortran.
> >
> > I have followed the instructions and, when I tried to check whether the
> > installation was successful or not (no error messages were printed
> > before), only two thirds of the tests passed, and those that failed were
> > regarding (more than half of) the "pw" directories. The errors where all
> > of the following form:
> >
> > /home/nick/Quantum_espresso/qe-7.2/test-suite/..//test-suite/run-pw.sh:
> > line 52: 4169 Segmentation fault      (core dumped) ${PARA_PREFIX}
> > ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} -input $1 > $2 2> $3
> > pw_dipole - 2dcutoff.in
> > <http://2dcutoff.in/>: **FAILED**.
> > Different sets of data extracted from benchmark and test.
> >      Data only in benchmark: n1, ef1, p1, band, f1, e1.
> >
> > In the attachment you can find the run-pw.sh file, which to me doesn't
> > have any problem at line 52.
> > I followed then what suggested in the User Guide, recompiling with
> >
> > ./configure --with-internal-blas --with-internal-lapack
> >
> > but the result didn't change.
> > I then did "make veryclean" and tried to compile and install in another
> > directory (parallel to the previous one) the version 7.1, using the
> > ./configure with the two options above, succeeding in the end even if I
> > don't know if those options worked, since there was the message
> > "configure: WARNING: unrecognized options: --with-internal-blas,
> > --with-internal-lapack".
> > Anyway again, when running the tests the result was the same above.
> > I tried also to run single examples but the message on terminal was (for
> > both versions):
> >
> > Program received signal SIGSEGV: Segmentation fault - invalid memory
> > reference.
> >
> > Backtrace for this error:
> > #0  0x7f6c32090d21 in ???
> > #1  0x7f6c3208fef5 in ???
> > #2  0x7f6c31ce308f in ???
> > #3  0x7fffdae329fc in ???
> > Segmentation fault (core dumped)
> >
> > that is also what I get in the output files of the tests (except for the
> > last line). The output files of the examples instead did not clarify
> > what the problem is, since they stopped with no useful information.
> >
> > I have already checked what advised here
> >
> https://gitlab.com/QEF/q-e/-/wikis/Support/Problem-downloading-pseudopotential-files
> <
> https://gitlab.com/QEF/q-e/-/wikis/Support/Problem-downloading-pseudopotential-files
> >
> > and the URLs are correct.
> > I have also tried to look for a solution on the internet, but I did not
> > manage to solve the problem.
> >
> > I kindly ask for Your help, since I do not know what to do anymore.
> >
> > Thank You in advance,
> > Niccolò Damian
> > Physics Master student at University of Padua
> >
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>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
>
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