[Wien] SCF stop!

[Yushan Wang]

could you please give a detailed explanation, thanks

yushan

On Mon, 14 Mar 2005, Michael Gurnett wrote:

> So you are using a 64bit machine
> ----- Original Message ----- From: "Yushan Wang" <wys at UDel.Edu>
> To: <wien at zeus.theochem.tuwien.ac.at>
> Sent: Monday, March 14, 2005 6:46 PM
> Subject: Re: [Wien] SCF stop!
>
>
>> 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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>> 
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>
>
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