[Wien] EOF error during init_so_lapw

Long Zhang lzhang7 at ameslab.gov
Wed Apr 16 22:24:51 CEST 2025


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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