[Pw_forum] scf error with HSE

[Paolo Giannozzi]

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
>> >> _______________________________________________
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>> >> Pw_forum at pwscf.org
>> >> http://pwscf.org/mailman/listinfo/pw_forum
>> >
>> >
>> >
>> > _______________________________________________
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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
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
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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