[Wien] lapw1 error

[Michael Gurnett]

Stack size unlimited. Also what have you set NMatMax to. We are running 2Gb 
machines and for complex calculations the system starts running in to 
problem with NMATMAX larger than 7000.

Michael

----- Original Message ----- 
From: "Jianfeng Zhu" <jzhu32 at uwo.ca>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Monday, October 17, 2005 10:32 PM
Subject: Re: [Wien] lapw1 error


>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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>> >
>> >
>>
>>
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