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