Firefly and PC GAMESS-related discussion club

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

$RSTART related question


Dear Sirs,
I would like to continue cluster calculation using $RSTART.
After adding $STATPT IDUMP=2 I got a RESTART file, than I added
a $STATPT IREST=2 $END in the end of RESTART file, and ran it.
In other words, I have run the RESTART file with following structure  

After first run it did not like that I still have PUNCH file, I deleted
PUNCH file and ran again, but firefly said that there is no $DATA group
in the file, which is surprising because in manual said "Another method
to restart a geometry optimization is to add the entire $RSTART group
(and only this group)".

Could you help me?

[ This message was edited on Wed Mar 11 '15 at 10:47pm by the author ]

[ Previous ] [ Next ] [ Index ]           Wed Mar 11 '15 10:47pm
[ Reply ] [ Edit ] [ Delete ]           This message read 575 times