[Wien] Wien2k_18.2: Error (bug) in min_lapw !?

[Wanderson Lobato Ferreira]

Dear Professor Laurence Marks, thank you for your support :)
The "BC" program is already installed. I did as you suggested:
-----------------------------------------------------
wanderson at carbonari:~/work1/case$ which bc
/usr/bin/bc

wanderson at carbonari:~/work1/case$ echo $PATH
/home/wanderson/WIEN2k_18.2:/home/wanderson/WIEN2k_18.2/SRC_structeditor/bin:/home/wanderson/WIEN2k_18.2/SRC_IRelast/script-elastic:/opt/intel//compilers_and_libraries_2019.1.144/linux/mpi/intel64/libfabric/bin:/opt/intel//compilers_and_libraries_2019.1.144/linux/mpi/intel64/bin:/opt/intel/compilers_and_libraries_2019.1.144/linux/bin/intel64:/opt/intel//compilers_and_libraries_2019.1.144/linux/mpi/intel64/libfabric/bin:/opt/intel//compilers_and_libraries_2019.1.144/linux/mpi/intel64/bin:/opt/intel/debugger_2019/gdb/intel64/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/snap/bin:.:/home/wanderson/WIEN2k_18.2:.
------------------------------------------------------

As I mentioned, I have been doing successful minimizations with other
systems and not getting these errors. And I'll also consider redoing the
calculations using the MSR1a.

Em qua, 6 de mar de 2019 às 15:16, Wanderson Lobato Ferreira <
wlferreira at usp.br> escreveu:

> Dear users, I have performed successful minimizations, but I have faced
> this problem with a specific system:
>
> -------------------------------------------------------------------------------------------------------
> *.... bla, bla, bla bla*
>
> LAPW2 - FERMI; weights written
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  SUMPARA END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 1 1 1
>
> >   stop
> *>>  (mini) arrived at end -> exit*
> *Fallback to compatibility mode with "old" save_lapw*
> *broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct
> files saved under case_2*
> *cp: cannot stat 'new_super.clmsum': No such file or directory*
> *clmextrapol_lapw did not extrapolate new density because of missing
> case.rsp*
>  LAPW0 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
> LAPW2 - FERMI; weights written
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  SUMPARA END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 1 1 0
> in cycle 2    ETEST: 0   CTEST: 0
>
> *#bla, bla, bla bla...*
>
> in cycle 41    ETEST: .0000137100000000   CTEST: .0097762
>  LAPW0 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
> LAPW2 - FERMI; weights written
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  SUMPARA END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 1 1 0
> *in cycle 42    ETEST: .0000174350000000   CTEST: .0057861*
> * LAPW0 END*
> *bc: Command not found.*
> *(standard_in) 1: syntax error*
> *(standard_in) 1: syntax error*
> *(standard_in) 1: syntax error*
> *set: Subscript out of range.*
> *test: Subscript out of range.*
> *>>> (min_lapw) status after run_lapw -fc 0.5 -p -I -i 100\: 1 -> exit*
>
> -----------------------------------------------------------------------------------------------
> Regards.
>
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