[Wien] EOF error during init_so_lapw

[Laurence Marks]

run_lapw is for a non spin polarized case, but in init_so you answered that
you have spin polarisation.

---
Emeritus Professor Laurence Marks (Laurie)
www.numis.northwestern.edu
https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi

On Wed, Apr 16, 2025, 15:31 Long Zhang via Wien <
wien at zeus.theochem.tuwien.ac.at> wrote:

> Dear Prof Blaha and WIEN2k users,
>
> I got an EOF error while executing the "init_so_lapw" of the current
> version of wien2k.
> I am running a non-mpi install of the code.
> It happened at the step when I answered yes for a spin polarized case.
> The error message is copied at the end of the email. What should I do to
> fix this?
>
> Before running "init_so_lapw", I did "init_lapw -prec 2" then “run_lapw
> -cc 0.0001 -ec 0.0001”, and there were no errors.
>
> ------------ the error message ------------
>
> Do you have a spinpolarized case (and want to run symmetso) ? (y/N) y
> At line 38 of file make_clm.f (unit = 56, file = 'TbNi2Ge2.clmup_so')
> Fortran runtime error: Sequential READ or WRITE not allowed after EOF
> marker, possibly use REWIND or BACKSPACE
>
> Error termination. Backtrace:
> #0  0x15236648e2e2 in ???
> #1  0x15236648ede9 in ???
> #2  0x15236648f93f in ???
> #3  0x1523666dbdfd in ???
> #4  0x42377b in ???
> #5  0x4050ef in ???
> #6  0x4012ec in ???
> #7  0x15236613724c in ???
> #8  0x401329 in _start
>         at ../sysdeps/x86_64/start.S:120
> #9  0xffffffffffffffff in ???
> 0.052u 0.049s 0:00.19 47.3%     0+0k 20+2816io 0pf+0w
> error: command   /global/common/software/m1515/lzhang/wien2k_24.1/symmetso
> symmetso.def   failed
> The number of non-equivalent atoms did not change
>  A new structure for SO calculations has been created (_so).
>  If you commit it will create new  TbNi2Ge2.struct, in1(c), in2c, inc,
>  clmsum/up/dn, vspup/dn, vnsup/dn, tausum/up/dn and r2v/dn files.
>  (Please SAVE any previous calculations)
>
> ------------ the error message ------------
>
> Thanks,
> Long
>
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