[Wien] Error in lapw1para_lapw script causing errors when running parallel lapw2

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Jun 18 07:09:04 CEST 2009


This is a good suggestion and I'll do that.

Thank's for your analysis.

> Anyways, I think this problem can be solved by changing:
> @ c = $a - $b - 1
> with
> @ c = $a - ($b - 1)
> This provides correct results in both situations (is correct 
> "mathematically" and does what was expected by the author, and is 
> "new_tcsh-safe").
> 
> And to discuss problem to the end - I've found reason of such different 
> behaviour in tcsh's manual:
> "compat_expr (+)
>      If  set, the shell will evaluate expressions right to left, like 
> the original csh."
> Looks like it was changed in 6.15.01 version of tcsh (2007-09-29).
> 
> So this is rather change in tcsh's default behaviour than error in 
> wien2k, but it would be safer to change some expressions in wien2k's 
> scripts.
> I'm still a bit amazed that I'm the only one who had this problem.
> 
> 
> Best regards,
> 
> Pawel Lesniak
> 
> 
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