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
2016-01-21 7:42 GMT+01:00 Gavin Abo <gs...@crimson.ua.edu>: > 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 >> > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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