[Wien] crash with -it

[Peter Blaha]

I've been able to reproduce the problem with gfortran, and also made a 
fix, which according to my tests seems to work.

Please try the attached jacdavblock.F file.

This fix is not necessary if ifort is used, but should not harm either.

Regards

On 07/10/2018 02:11 PM, Pavel Ondračka wrote:
> Dear Wien2k mailing,
> 
> so I noticed that the old crash with -it (with gfortran only of course)
> is still present in the 18.1 version:
> 
> At line 140 of file jacdavblock_tmp_.F (unit = 200, file =
> './case.storeHinv_1_proc_0')
> Fortran runtime error: Sequential READ or WRITE not allowed after EOF
> marker, possibly use REWIND or BACKSPACE
> 
> It was first reported here: https://www.mail-archive.com/wien@zeus.theo
> chem.tuwien.ac.at/msg17338.html and some analysis was also provided by
> Gavin https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg1
> 7343.html but it probably got forgotten since then. The workaround is
> simply to use the -noHinv flag, hence this is not really critical, but
> it would be nice to have it fixed for some future release anyway.
> 
> Best regards
> Pavel
> 
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-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
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