[Wien] I/O error executing "x -qtl lapw2" under AIX system/xlf

[Peter Blaha]

You have to update the x_lapw script on your AIX machine.

Both, writing and reading of unit 15 has been changed to unformatted, and
thus also the lapw2.def file has been modified (in the new x_lapw).

Juergen Spitaler schrieb:
> Dear Prof. Blaha!
> We have compiled WIEN2k_09.1 on a IBM P5 machine
> with AIX using the xlf fortran compiler.
> When running "x -qtl lapw2"  we got the error messages
> of the form
>    "1525-019 The unformatted I/O statement on unit 15 cannot be completed
>     because the unit is connected to the formatted file case.tmp.  The
> program
>     will recover by ignoring the I/O statement."
> This problem did not appear on my linux machine
> when I used ifort.
> 
> I traced the problem back to the subroutine outp.f.
> In this routine (version 09.1) READs and WRITEs
> on file no. 15 = case.tmp are performed without
> any format specification, e.g. in line 205
>         WRITE(15) R,S,T,        &
> I could fix the problem by adding the format
> specifications as usd in WIEN2k_08.3.
> 
> Now I wanted to ask, why these format specifications
> were ommitted in the new WIEN version,
> and if they could not be reintroduced again
> to make life less difficult.
> Or is there a way to tell the xlf compiler
> how to deal with such a situation?
> 
> Best wishes,
> Juergen Spitaler
> 

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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