[molpro-user] Insufficient Memory

[Samir Tohme]

Dear Dr. Andy,

The input statement is:

***,Input file generated by gabedit;
Memory,400000000;
Gprint,basis;
Gprint,orbital;

geomtyp=xyz
geometry={ANGSTROM;
2 ! Number of atoms
GeomXYZ
Ba, 0.0, 0.0, 0.0
F, 0.0, 0.0, 4.0
}

basis={
etc
.
.
.


Regards,
Samir


On Fri, Mar 21, 2014 at 4:35 PM, Andy May <MayAJ1 at cardiff.ac.uk> wrote:

> Samir,
>
> Please can you let me know how you are specifying the memory? If it's the
> command line please send the exact command line used to launch, or if it's
> via the input file please send the input file.
>
> Best wishes,
>
> Andy
>
>
> On 18/03/14 17:06, Samir Tohme wrote:
>
>> Dear Molpro Developers and Users,
>>
>> I am running CASSCF/MRCI program at several points, and I am receiving
>> the following error:
>> Number of internal configurations:               124180
>> Number of singly external configurations:       2194928
>> Number of doubly external configurations:        409093
>> Total number of contracted configurations:      2728201
>> Total number of uncontracted configurations:   18561212
>> insufficient memory available - require    162675800  have    112581103
>> the request was for real words
>>
>> However, I am trying to increase the memory in the memory card to
>> 400000000; but molpro is not able to read this input, knowing that the
>> pc RAM specifications are equal to 8GB.
>>
>> Any help is appreciated.
>>
>> Best Wishes,
>> Samir
>>
>>
>> _______________________________________________
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>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
>>
>>
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