[Wien] lapw1 error

[Michael Gurnett]

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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