[Wien] Allocate error 494

[Peter Blaha]

> >    I calculate a substance which have 49 atoms,when run lapw1,it show errors and
> >stop.
> >    dayfile is:
> >    Calculating sx509 in /home/run/hgeng/sx509/sx509
> >on cserver
> >
> >    start 	(Áù 10ÔÂ 25 09:39:47 CST 2003) with lapw0 (20/20 to go)
> >
> >
> >>  lapw0 	(09:39:47) 816.460u 4.450s 13:43.68 99.6%	0+0k 0+0io 191pf+0w
> >>  lapw1   	(09:53:31) 57.340u 0.550s 0:57.95 99.8%	0+0k 0+0io 173pf+0w
> >>
> >>
> >
> >
> >
> >>  stop error
> >>
> >>
> >
> >   STDOUT is
> >   Allocate error 494: Allocation of Array with extent of 400000000 failed

Probably you want to allocate an array larger than allowed.

How much memory and swap space do you have ? (use "free")

What are your "limits" ?   (use  limit  (under tcsh))

What's your smallest RMT and your RKmax ?

What's your NMATMAX during installation (siteconfig) ?

Regards
                                      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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