Thanks. This was reported before and has been fixed beginning of April. See:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-April/014478.html Am 09.05.2011 18:24, schrieb Gilles Hug: > Dear Peter and Wien2kers, > > I have compiled Wien2k_11 with gfortran and gotoblas. > > During execution lapw0 crashes when writing with format 699. like that : > >> $ x lapw0 >> At line 1877 of file lapw0.F (unit = 21, file = 'test.scf0') >> Fortran runtime error: Expected INTEGER for item 4 in formatted transfer, >> got REAL >> USE=',i3,' SIGMA OF V-XC FIT FOR ATOM',i3,e15.7) >> ^ >> 1.8u 0.0s 0:01.82 100.5% 0+0k 0+64io 0pf+0w >> error: command /home/gilles/apps/WIEN2k_11/lapw0 lapw0.def failed > > Indeed format 699 and the write commands that call it are : > >> WRITE(21,699) JATOM,JATOM,SIGMA(1,jatom) >> WRITE(21,699) JATOM,JATOM,SIGMA(2,jatom) >> ! 699 FORMAT(':FIT',i3.3,':',1x,'LUSE=',i3,' SIGMA OF V-XC FIT FOR >> ATOM',i3,e15.7) >> 699 FORMAT(':FIT',i3.3,':',1x,'LUSE=',i3,' SIGMA OF V-XC FIT FOR >> ATOM',e15.7) > > I have aggregated the fix, i. e. suppressing the third "i3". > > This crash does not seems to occur with ifort (although I think it should). > > Best regards, > > Gilles > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -----------------------------------------
