[Pw_forum] scf error with HSE

Paolo Giannozzi p.giannozzi at gmail.com
Mon Jun 12 16:03:29 CEST 2017


On Fri, Jun 9, 2017 at 5:12 PM, Hongsheng Liu <lhs.happy2007 at gmail.com> wrote:

> I'm trying to do a HSE scf calculation for graphene nanoribbon with PWSCF
> v6.1. I can succeed with 64 K points along the periodic direction. But when
> I increase the K points to 96, the job failed with an error as below,
> 'forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        Source
> pw.x               0000000000DA3601  Unknown               Unknown  Unknown
> .........

any significant information hidden in the ........ ? sometimes tha
traceback contains the place and line where the error has occurred

>   And I am sure that the memory is enough.

How can you be that sure?

> My input is as below,

you input is not complete so it i snot very useful.

Paolo
-- 
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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