[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20250416/58d410d0/attachment.htm>
More information about the Wien
mailing list