I did "nt find "" "write(22" statements by "write(21"" in mixer.F please give a solution
2016-01-21 18:26 GMT+01:00 Peter Blaha <pbl...@theochem.tuwien.ac.at>: > If the error is really caused by gfortran and not by an "user-error", > you can fix it by: > > cd $WIENROOT/SRC_mixer/ > edit mixer.F and replace two "write(22" statements by "write(21". Then > recompile: > make and > cp mixer .. > > Peter Blaha > > On 01/21/2016 12:49 PM, said chibani wrote: > >> 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 >> <mailto: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 <mailto: >> 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 >> >> >> >> >> _______________________________________________ >> 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 >> >> > -- > > P.Blaha > -------------------------------------------------------------------------- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 > Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at > WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php > -------------------------------------------------------------------------- > > _______________________________________________ > 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 >
_______________________________________________ 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