[Wien] SCF stop!

[Michael Gurnett]

If you aren't using a 64bit machine you cannot create matrices larger than 
2Gb. This has been discussed within the last week.

Michael
----- Original Message ----- 
From: "Yushan Wang" <wys at UDel.Edu>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Monday, March 14, 2005 7:39 PM
Subject: Re: [Wien] SCF stop!


> 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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