[Wien] w2web single prog instgen_lapw

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Apr 2 08:47:17 CEST 2012


I can confirm this bug and also the proposed solution in executer.pl  (of course, only if   prog=instgen set the  precmd to blank):

if ("$FORM{'prog'}" =~  m/^instgen/) {
	$FORM{'precmd'} = '';
}

Thanks

Am 02.04.2012 06:35, schrieb Gavin Abo:
> In WIEN2k_11.1 (Release 14/6/2011), can someone confirm if there is a bug in executing "instgen_lapw" as a "single prog" in w2web that gives the following error with similar input?
>
> Commandline: x instgen_lapw -s -ask
> Program input is: "n u n n d"
>
> error in your arguments: -s is not a valid option
>
> Also, is the following line between line 551 and 552 in "$WIENROOT/SRC_w2web/htdocs/exec/executor.pl" the proper solution (by removing "x" in the command)?
>
> $FORM{'precmd'}="";
>
>
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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