[Pw_forum] (no subject)

Paolo Giannozzi p.giannozzi at gmail.com
Mon May 23 15:20:05 CEST 2016

Intel compiler v.13 should work for the latest version of QE as well. It's
not that the latest version of QE needs the latest version of the compiler.
Your problem might also be related to MPI. Try first of all to run on one
processor, with EXACTLY the same job that crashes on 128 processors. Does
the code pass the checks for the consistency of cutoff  (it will stop
anyway because the job is too large to fit into a single CPU)?


On Mon, May 23, 2016 at 3:06 PM, Jingyang Wang <jw598 at cornell.edu> wrote:

> Dear Lorenzo, Paolo and others,
> Thank you all for your very helpful suggestions! I have tried adding .d0
> after the values for ecutwfc and ecutrho, but the same error persists. The
> compilers for QE 5.4.0 on Stampede are ifort and icc 15.0.2. I compiled QE
> 5.1.2 using the same compilers, but the same error occured again. This
> should confirm that it is a bug related to the compiler. I will try QE
> 5.0.3 since it is compiled by ifort and icc 13.0.2 on Stampede.
> --
> Jingyang 'Mark' Wang
> School of Applied and Engineering Physics
> Cornell University
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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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