[QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI).

[Ye Luo]

There was some upgrade on the server. Then curl was not happy with http.
Just change http to https in test-suite/ENVIRONMENT.

===================
Ye Luo, Ph.D.
Computational Science Division & Leadership Computing Facility
Argonne National Laboratory


On Thu, Feb 3, 2022 at 4:31 PM Husak Michal <Michal.Husak at vscht.cz> wrote:

> Hi
>
>
> Thank you for your advice.
>
> I do not thing my environment is wrong - I was able to compile similar
> code (CASTEP) with same environment ....
>
> in both MPI, and OpenMP version and it is 100% functional with all test
> passed ...
>
>
> I am able to build serial and OpenMP version of QE and they pass my tests,
> only OpenMPI version
>
> fails ...
>
> The OpenMPI fails when built from 2 totally different environments in
> identical way  = sound like no issue in my environment.
>
>
> It look like current Qunatum-Espresso testsuite can not be launched,
>
> it generate following error:
>
> USER at USER-PC /cygdrive/m/My_project/fortran/qe/qe-7.0/test-suite
> $ make run-tests
> Download of O.pz-rrkjus.UPF FAILED, do it manually -- Testing aborted!
> make: *** [Makefile:35: pseudo] Error 255
>
>
> Sound like the server with pseudopotential is down (I am fully connected -
> no block).
>
>
> Any more advice is strongly appreciated ...
>
>
> Michal Husak
>
>
>
> ________________________________
> From: users <users-bounces at lists.quantum-espresso.org> on behalf of Husak
> Michal <Michal.Husak at vscht.cz>
> Sent: Thursday, February 3, 2022 10:26 PM
> To: Quantum ESPRESSO users Forum
> Subject: [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm
> OpenMPI).
>
> Hi
>
> I am trying to find why the MPI build (gfortan + OpenMP) does not work for
> QE 6.6-7.0
> The code stops in the routine
> good_fft_order (in fft_support.f90)
> on following statement
>  IF (np <= 0 .OR. np > nr) & ....
>
> This is called from
> realspace_grid_init (in fft_types.f90) ...
>
> Following command generate nonsense input generating code stop (np=2,nr=1)
>  dfft%nr1 = good_fft_order( dfft%nr1, fft_fact(1)
>
> I am not an Fortran expert not familiar with the QE architecture so
> tracing this issue more deeply is
> behind my knowledge ....
>
> Any advice I can try ?
> Run some test, debug mode ?
>
> Michal Husak
> UCT Prague ...
>
>
>
>
>
>
>
>
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