[QE-users] Fwd: a weird problem to run pw.x in QE6.4.1

[Mohammad Moaddeli]

Dear Hongwei,

If you are compiling QE with intel parallel studio, you can also use:
MPIF90=mpiifort and do not use openmpi.

In my opinion, the problem you mentioned is because of the therm "nstep =
0" in the input file,


Best,

Mohammad
Shiraz University

On Sat, Oct 12, 2019 at 11:29 PM 王宏伟 <wanghongwei0730 at gmail.com> wrote:

> Dear quantum-espresso developers and users，
>
> I encounter a weird problem to run QE6.4.1 recently.
> I compile it with intel parallel studio 2017 and openmpi3.10.
> I  could install QE6.4.1 without any problems, but it crashes
> immediately when I  start parallel computing with pw.x.
> The pw.x module does not perform electronic iteration, and
> only reports error message " Primary job terminated normally, but 1
> process returned a non-zero exit code. Per user-direction, the job has been
> aborted."
> I have tried to adjust math libraries and compilers many times, but the
> same
> problem fails to be solved. The attachments are my input and output files
> as
> well as the make.inc file. I really appreciate it if you could help me
> solve this
> problem.
>
> Best Regards
>
> Hongwei
>
> Postdoctoral fellow
> Department of Electrical & Computer Engineering,
> University of Minnesota, Keller Hall, Minneapolis, MN 55455, USA
>
>
>
>
>
>
>
>
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