[QE-developers] a weird problem to run pw.x in QE6.4.1

王宏伟 wanghongwei0730 at gmail.com
Sat Oct 12 22:03:27 CEST 2019


Dear quantum-espresso developers,
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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