[Wien] Min_lapw Errors

[Laurence Marks]

Without more information nobody can help. As a start, run the command
"Check-mixing" and include the output in an email.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Wed, Sep 2, 2020, 23:30 晨晨 <chiniku at qq.com> wrote:

> Dear W2k developers and users,
>
>   The wien2k version is 19.2 on Linux with gfortran, OpenBlas and openmpi.
> Now executing min_lapw occurs errors as the following:
>
> [YG@]$ min_lapw -j 'run_lapw -I -fc 1.0 -i 60'
>
> STOP DSTART ENDS
>
> 6.269u 0.719s 0:00.95 733.6%    0+0k 0+952io 0pf+0w
>
> STOP  LAPW0 END
>
> STOP  LAPW1 END
>
> STOP  LAPW2 END
>
> STOP  CORE  END
>
> STOP  MIXER END
>
> ec cc and fc_conv 1 1 0
>
> in cycle 2    ETEST: 0   CTEST: 0
>
> STOP  LAPW0 END
>
> STOP  LAPW1 END
>
> STOP  LAPW2 END
>
> STOP  CORE  END
>
> STOP  MIXER END
>
> ec cc and fc_conv 1 1 0
>
> in cycle 3    ETEST: 0   CTEST: 0
>
> STOP  LAPW0 END
>
> STOP  LAPW1 END
>
> STOP  LAPW2 END
>
> STOP  CORE  END
>
> STOP  MIXER END
>
> ec cc and fc_conv 1 1 0
>
> in cycle 4    ETEST: 0   CTEST: 0
>
> STOP  LAPW0 END
>
> STOP  LAPW1 END
>
> STOP  LAPW2 END
>
> STOP  CORE  END
>
> STOP  MIXER END
>
> ec cc and fc_conv 1 1 1
>
> >   stop
>
> At line 23 of file wrtscf.f
>
> Fortran runtime error: Bad value during floating point read
>
>
>
> Error termination. Backtrace:
>
> #0  0x2af8d1010480 in formatted_transfer_scalar_read
>
>         at ../.././libgfortran/io/transfer.c:1594
>
> #1  0x2af8d1011a1c in formatted_transfer
>
>         at ../.././libgfortran/io/transfer.c:2270
>
> #2  0x41310b in ???
>
> #3  0x40974a in ???
>
> #4  0x40ca09 in ???
>
> #5  0x40cb0c in ???
>
> #6  0x2af8d195cd5c in ???
>
> #7  0x401458 in ???
>
>
> Best regards.
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