[Wien] format 699 in lapw0.F

Gilles Hug gilles.hug at onera.fr
Mon May 9 18:24:32 CEST 2011


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


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