<div dir="ltr">So thank you but I don't understand this solution give me simple ou easy solution if you have another compiler like ifort please pass to me because I have just gfortran it does not work </div><div class="gmail_extra"><br><div class="gmail_quote">2016-01-21 7:42 GMT+01:00 Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">I don't have a code fix.<br>
<br>
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):<br>
<br>
[1] <a href="https://gcc.gnu.org/bugzilla/show_bug.cgi?id=52860" rel="noreferrer" target="_blank">https://gcc.gnu.org/bugzilla/show_bug.cgi?id=52860</a><br>
[2] <a href="https://gcc.gnu.org/bugzilla/show_bug.cgi?id=59513" rel="noreferrer" target="_blank">https://gcc.gnu.org/bugzilla/show_bug.cgi?id=59513</a><br>
[3] <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12287.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12287.html</a><br>
<br>
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.<br>
<br>
Code comments in gfortran.texi:<br>
<br>
Some legacy codes rely on allowing @code{READ} or @code{WRITE} after the<br>
EOF file marker in order to find the end of a file. GNU Fortran normally<br>
rejects these codes with a run-time error message and suggests the user<br>
consider @code{BACKSPACE} or @code{REWIND} to properly position<br>
the file before the EOF marker. As an extension, the run-time error may<br>
be disabled using -std=legacy. [ <a href="https://gcc.gnu.org/viewcvs/gcc/trunk/gcc/fortran/gfortran.texi?view=markup&pathrev=221575" rel="noreferrer" target="_blank">https://gcc.gnu.org/viewcvs/gcc/trunk/gcc/fortran/gfortran.texi?view=markup&pathrev=221575</a> ]<br>
<br>
So a backspace statement before the write on line 1015 in SRC_mixer/mixer.F (of WIEN2k 14.2)<br>
<br>
BACKSPACE(2)<br>
write(22,*)':WARNING: K-list has changed'<br>
<br>
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.<span class="im HOEnZb"><br>
<br>
On 1/20/2016 7:32 AM, said chibani wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
thank you for the solution but there is another problem<br>
when he optimize I lanch this point -10 -5 0 5 10 in example Tic<br>
S.vns -> ./S_vol_-10.0_default.vns<br>
S.vnsup -> ./S_vol_-10.0_default.vnsup<br>
S.vnsdn -> ./S_vol_-10.0_default.vnsdn<br>
S.r2v -> ./S_vol_-10.0_default.r2v<br>
S.r2vdn -> ./S_vol_-10.0_default.r2vdn<br>
<br>
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, vsp*, vns*, scf, struct and input files saved under ./S_vol_-10.0_default<br>
<br>
running dstart in single mode<br>
STOP DSTART ENDS<br>
3.3u 0.0s 0:03.40 99.7% 0+0k 0+392io 0pf+0w<br>
0.0u 0.0s 0:00.05 100.0% 0+0k 0+352io 0pf+0w<br>
clmextrapol_lapw has generated a new S.clmsum<br>
hup: Command not found.<br>
STOP LAPW0 END<br>
STOP LAPW1 END<br>
STOP LAPW2 END<br>
STOP CORE END<br>
At line 1015 of file mixer.F (unit = 22, file = 'S.scf')<br>
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE<br>
<br>
> stop error<br>
ERROR status in S_vol__-5.0<br>
</blockquote></span><div class="HOEnZb"><div class="h5">
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