Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 


Re^2: Large CI calculations with Firefly

Evge
evgengrx@gmail.com

Thanks, Alex! Just one more question, what is approximately the largest size of CSFs
that is possible for CI/MCSCF calculations with the present 32-bit version of Firefly?

Best regards,
Evgeniy

On Tue Sep 1 '15 0:26am, Alex Granovsky wrote
---------------------------------------------
>On Mon Aug 31 '15 12:08pm, Evge wrote
>-------------------------------------
>>Dear Users and Developers of Firefly,

>>I wonder how good is the CI engine in Firefly?
>>Can one perform LARGE CI calculations, let's say, of the size 500 000 000 CSFs?
>>Many thanks!

>>Best regards,
>>Evgeniy

>Dear Evgeniy,

>Current Firefly is 32-bit code and this limits CI code.

>Kind regards,
>Alex Granovsky
>
>
>
>

[ Previous ] [ Next ] [ Index ]           Tue Sep 1 '15 2:34pm
[ Reply ] [ Edit ] [ Delete ]           This message read 484 times