[Pw_forum] scf error with HSE

[Hongsheng Liu]

Dear Paolo,
  OK. Thanks so much.

Best wishes,
Hongsheng Liu

2017-06-21 22:07 GMT+02:00 Paolo Giannozzi <p.giannozzi at gmail.com>:

> It is a bug in the code
>
> On Mon, Jun 19, 2017 at 10:01 AM, Hongsheng Liu <lhs.happy2007 at gmail.com>
> wrote:
> > 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
> >
> >
> >
> > _______________________________________________
> > 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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