[Wien] SCF stop!

[Michael Gurnett]

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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