[QE-users] Test Crashes: UPF not readable

[Takahiro Chiba]

Dear Gurlek,

Your issue is weird. Scalapack was not found even though "-D__SCALAPACK" is
not written in the DFLAGS line in your make.inc. It should not happen,
AFAIK. Also, the BLAS_LIBS is different from mine. It’s for static. It is
possible that you set something inappropriate for "./configure".

Please try:
1 logout and re-login to make sure that inappropriate shell variables are
not set. (you may need to care for ~/.bashrc and ~/.bash_profile)
2 source /opt/intel/compilers_and_libraries/linux/bin/compilervars.sh
intel64
3 source /opt/intel/compilers_and_libraries/linux/mpi/intel64/bin/mpivars.sh
(For 2 and 3, path may vary according to your installation)
4 ./configure --enable-openmp --with-scalapack=intel
(Without setting MPIF90 or something because step 2 and 3 are usually
sufficient. Also, please avoid adding "LDFLAGS=-static" in your case. It
can be a culprit for your issue.)
5 make all -j | tee make-all.log
(Time depends)
6 make run-tests-parallel | tee run-tests-parallel.log
(It will take for a long time. In the tests process, UPF files will be
downloaded. Make sure curl and wget works.)


If the problem still persists, please upload
a. make.inc
b. make-all.log
c. run-tests-parallel.log
d. The output of “ls -l ~/qe-6.7/pseudo”
e. test.err…



---Sender---
Takahiro Chiba
1st-year student at grad. school of chem. sci. and eng., Hokkaido Univ.
Expected graduation date: Mar. 2023
takahiro_chiba at eis.hokudai.ac.jp
-----

2022年3月15日(火) 2:46 Guerlek, Burak <burak.guerlek at mpl.mpg.de>:


>
> Dear Users,
>
>
>
> I am new to the QE business and now trying to install it to a cluster. I
read through the documentation and exploit several YouTube videos for the
configuration. I installed all intel compiler+MKL+MPI (2022 Intel oneAPI).
Configuration and make steps successfully done for both v6.7 and v7.0, but
when I did tests (run-tests-pwe-serial), where only 3 test pass. The rest
fails due to non-readable UPF (see attached crash file in the attachment).
I made the pseudo folder rwx, but the error persists. I run it via sudo,
then the error changes to “libmkl_scalapack_lp64.so.2: cannot open shared
object file: No such file or directory” (see test.err.1304… in the
attachment). I am also attaching the make.inc file I use to configure. I
check the path information of mpiirun, mpiifort, which are ok. ldd pw.x
also returns the address of “libmkl_scalapack_lp64” correctly.
>
>
>
> I searched a similar problem in the mail server, but could not find a
relevant one. I would be happy, if some of you could guide me through the
installation process, which certainly I am missing a point.
>
>
>
> Best Regards,
>
> Burak
>
>
>
>
>
> Burak Gurlek
>
> Doctoral student
>
> Nano-Optics, Sandoghdar Division
>
> Max Planck Institute for the Science of Light
>
> Staudtstr. 2
>
> D-91058 Erlangen, Germany
>
>
>
> Tel: +49 9131 7133343
>
> Website: www.mpl.mpg.de
>
>
>
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