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

[Paolo Giannozzi]

On Sun, Oct 13, 2019 at 9:13 AM Mohammad Moaddeli <
mohammad.moaddeli at gmail.com> wrote:

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

exactly so.

Paolo


>
>
> 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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>
> _______________________________________________
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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