[Wien] lapw1 error

[Jianfeng Zhu]

I have increased the stack size from 10240 to 40960, but it gives the same
error. is there some other possible? By the way, the structure I calculated
having 16 inequavilent atoms and 64 atoms in total. Is that too much?

Jianfeng (peter)


----- Original Message -----
From: Michael Gurnett <michael.gurnett at kau.se>
Date: Monday, October 17, 2005 1:05 pm
Subject: Re: [Wien] lapw1 error

> This problem is covered alot in the old mails. Basically, you ran 
> out of 
> memory. You can try first by changing the stack size. "ulimit -s" I 
> believe
> Michael
> ----- Original Message ----- 
> From: "Jianfeng Zhu" <jzhu32 at uwo.ca>
> To: <Wien at zeus.theochem.tuwien.ac.at>
> Sent: Monday, October 17, 2005 6:59 PM
> Subject: [Wien] lapw1 error
> 
> 
> > Hi there,
> >
> > It didn't give any error when setting the structure parameters 
> and 
> > initrilizing
> > the calculation. But when doing the  SCF, it shows the following  
> error:>     start (Mon Oct 17 12:39:11 EDT 2005) with lapw0 (20/20 
> to go)
> >
> >    cycle 1 (Mon Oct 17 12:39:11 EDT 2005) (20/20 to go)
> >
> >>   lapw0 (12:39:11) 82.534u 1.303s 4:15.41 32.8% 0+0k 0+0io 10pf+0w
> >>   lapw1  -c  (12:43:27) Segmentation fault
> > 5.021u 0.612s 0:17.13 32.8% 0+0k 0+0io 10pf+0w
> >
> >>   stop error
> >
> > Could some told me why and how to solve it? Thanks a lot.
> >
> > Peter
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> > 
> 
> 
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