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Re: CASSCF and memory. Once again.

Alex Granovsky
gran@classic.chem.msu.su


Dear Pasha,


>Wave function contains 35395360 CSF.

>I understand that FF prints amount of memory per one core and amount i need really huge. But is it possible to decrease that number by increasing of the number of cores?

It is indeed possible to do this with Firefly v. 8.0.0 using modified ALDET code. It is impossible to do this with GUGA-based code.

> Or may be we can play with parameters to overcome this problem. May be i can solve the problem with beta version of FF8. I will be appreciate for any help and suggestions.

The key problem is that you are searching for too many CI roots at a time thus the memory requirements.

All the best,
Alex



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