I don't have a code fix.
However, my understanding from the information at the following links is
that gfortan was updated to follow the Fortran standard for the EOF (end
of file) marker starting with versions greater than about 4.5, such that
the WIEN2k code has to be adjusted so that it does not generate that
error message (which indicates that it caught an invalid EOF operation):
[1] https://gcc.gnu.org/bugzilla/show_bug.cgi?id=52860
[2] https://gcc.gnu.org/bugzilla/show_bug.cgi?id=59513
[3]
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12287.html
It looks like the recommended solution given in the discussions at those
links was to use a backspace statement in the code. Whereas, the less
recommended solutions being to use a different compiler like ifort [1]
or possibly trying the compiler setting -std=legacy.
Code comments in gfortran.texi:
Some legacy codes rely on allowing @code{READ} or @code{WRITE} after the
EOF file marker in order to find the end of a file. GNU Fortran normally
rejects these codes with a run-time error message and suggests the user
consider @code{BACKSPACE} or @code{REWIND} to properly position
the file before the EOF marker. As an extension, the run-time error may
be disabled using -std=legacy. [
https://gcc.gnu.org/viewcvs/gcc/trunk/gcc/fortran/gfortran.texi?view=markup&pathrev=221575
]
So a backspace statement before the write on line 1015 in
SRC_mixer/mixer.F (of WIEN2k 14.2)
BACKSPACE(2)
write(22,*)':WARNING: K-list has changed'
or perhaps somewhere before/after one or both of the read statements
(line 161 or 174 or 183) in SRC_mixer/scfana.f would probably fix the
problem.
On 1/20/2016 7:32 AM, said chibani wrote:
thank you for the solution but there is another problem
when he optimize I lanch this point -10 -5 0 5 10 in example Tic
S.vns -> ./S_vol_-10.0_default.vns
S.vnsup -> ./S_vol_-10.0_default.vnsup
S.vnsdn -> ./S_vol_-10.0_default.vnsdn
S.r2v -> ./S_vol_-10.0_default.r2v
S.r2vdn -> ./S_vol_-10.0_default.r2vdn
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, vsp*, vns*,
scf, struct and input files saved under ./S_vol_-10.0_default
running dstart in single mode
STOP DSTART ENDS
3.3u 0.0s 0:03.40 99.7% 0+0k 0+392io 0pf+0w
0.0u 0.0s 0:00.05 100.0% 0+0k 0+352io 0pf+0w
clmextrapol_lapw has generated a new S.clmsum
hup: Command not found.
STOP LAPW0 END
STOP LAPW1 END
STOP LAPW2 END
STOP CORE END
At line 1015 of file mixer.F (unit = 22, file = 'S.scf')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF
marker, possibly use REWIND or BACKSPACE
> stop error
ERROR status in S_vol__-5.0
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