Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^2: XMCQDPT2 and optimization through a numerical gradient
Roman Kroik
chemistnn@gmail.com
I typed MEMORY size in the $SYSTEM group and I have started my calculation again. And calculation has continued normally after first optimization step. If any problems will appear I will reply to you in this thread.
On Sat Dec 22 '12 3:22pm, Alex Granovsky wrote
----------------------------------------------
>Hi,>could you please attach the complete output as well?
>Kind regards,
>Alex Granovsky
[ This message was edited on Tue Dec 25 '12 at 11:25am by the author ]
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Tue Dec 25 '12 11:25am
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 718 times