Re: the 8192 limit in GUGA

Posted by Alexander Thiel on September 12, 2000 at 12:21:41:

In Reply to: the 8192 limit in GUGA posted by Irene Shim on August 08, 2000 at 16:04:23:

: I am working on a molecule where the number of
: triplet coupled doubles (IX3 in config) exceeds 8192.

: What do I have to do in order to increase this limit?

: I am mostly concerned about the packing routines.

: sincerely
: Irene Shim

I also had some problems with size limitations in GUGA.
I finally managed to do my calculations with the RASSCF module
using the CIonly option. Maybe you want to try this.

Regards,
Alex

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Comments:
: : I am working on a molecule where the number of : : triplet coupled doubles (IX3 in config) exceeds 8192. : : What do I have to do in order to increase this limit? : : I am mostly concerned about the packing routines. : : sincerely : : Irene Shim : I also had some problems with size limitations in GUGA. : I finally managed to do my calculations with the RASSCF module : using the CIonly option. Maybe you want to try this. : Regards, : Alex