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Re^4: Large CI calculations with Firefly


Many thanks for your response!

Best regards,

On Wed Sep 2 '15 11:56pm, Alex Granovsky wrote
>Dear Evgeniy,

>As to GUGA CSFs-based code, I think currently the limit is ca. 50 millions of CSFs

>As to determinant-based code, this link provides a good example of what can be done.

>Kind regards,
>Alex Granovsky
>On Tue Sep 1 '15 2:34pm, Evge wrote
>>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,

>>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,

>>>Dear Evgeniy,

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

>>>Kind regards,
>>>Alex Granovsky

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