[Wien] SCF stop!

[Yushan Wang]

Dear users,
the memory is 4Gb, and I find in every calculation about 3.8 Gb was used.
the swap memory is also 4Gb, it seems it is always free. I think , total 8 
Gb will be enough for my calcualtion with about 40 atoms.
but it always has such error as mentioned above.
what advice do you have to help me solve this problem.

yushan


On Mon, 14 Mar 2005, Michael Gurnett wrote:

> Are you perhaps generating matrices that are larger than 2Gb (see previous 
> posts)
>
> Mick
> ----- Original Message ----- From: "Yushan Wang" <wys at UDel.Edu>
> To: <wien at zeus.theochem.tuwien.ac.at>
> Sent: Monday, March 14, 2005 3:49 PM
> Subject: [Wien] SCF stop!
>
>
>> 
>> Dear user,
>> SCF stops at at lapw1 of the first cycle for larger jobs, but it always 
>> runs well for small jobs.
>> ....................................................
>> 1. I just use standalone workstation without quene.
>> 2. 4 Gibs memory
>> 3. wien 2k_05
>> 4. no detailed information in the error file, just says" error in lapw1"
>> .................................................................
>> 
>> yushan
>> 
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>> 
>> 
>
>
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