[Wien] format 699 in lapw0.F

[Peter Blaha]

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
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-- 
-----------------------------------------
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
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