[Pw_forum] scf error with HSE

[Hongsheng Liu]

Dear Paolo,
  Thank you so much for your answer. But I don't understand the out of
bound error. Is the 'out of bound' error related to the code? So we have to
correct the code to fix this problem? Would you please if possible give me
some more hints about this? Thank you very much.

Best regards,
Hongsheng Liu

2017-06-15 22:09 GMT+02:00 Paolo Giannozzi <p.giannozzi at gmail.com>:

> There is an out-of-bound error. I think I know why, but it is not
> something easy to fix
>
> Paolo
>
> On Thu, Jun 15, 2017 at 5:19 PM, Hongsheng Liu <lhs.happy2007 at gmail.com>
> wrote:
> > Dear Paolo,
> >   Oh, got it. Thank you.
> >
> > Best regards,
> > Hongsheng Liu
> >
> > 2017-06-15 17:10 GMT+02:00 Paolo Giannozzi <p.giannozzi at gmail.com>:
> >>
> >> On Thu, Jun 15, 2017 at 5:00 PM, Hongsheng Liu <lhs.happy2007 at gmail.com
> >
> >> wrote:
> >>
> >> > I don't think any significant information hidden in the ......
> >>
> >> the following section is called "traceback" and tells you where
> >> exactly the code crashed. Sometimes it allows to quickly fix a problem
> >> (but sometimes it doesn't)
> >>
> >> > pw.x               00000000005DF534  us_exx_mp_addusxx         246
> >> > us_exx.f90
> >> > [...]
> >>
> >> > pw.x               00000000005E24A4  us_exx_mp_addusxx         244
> >> > us_exx.f90
> >> > pw.x               0000000000485B63  exx_mp_vexx_k_           1913
> >> > exx.f90
> >> > pw.x               00000000004D4712  exx_mp_vexx_             1252
> >> > exx.f90
> >> > pw.x               00000000004D4E2D  exx_mp_aceinit_k_        5431
> >> > exx.f90
> >> > pw.x               00000000004D5CBD  exx_mp_aceinit_          5236
> >> > exx.f90
> >> > pw.x               00000000004E1542  exx_mp_exxinit_          1121
> >> > exx.f90
> >> > pw.x               000000000040A69C  electrons_                175
> >> > electrons.f90
> >> > pw.x               000000000057FD15  run_pwscf_                 99
> >> > run_pwscf.f90
> >> > pw.x               0000000000408770  MAIN__                     56
> >> > pwscf.f90
> >>
> >> 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
> >> _______________________________________________
> >> Pw_forum mailing list
> >> Pw_forum at pwscf.org
> >> http://pwscf.org/mailman/listinfo/pw_forum
> >
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> --
> 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
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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