I am trying employ jobbsse at system of 102 atoms, with basis def2-TZVPP(DFT level - functional pbe). After run define, my files 1_ghosts, 2_ghosts, monomer1, monomer2, original and mol are empty. My jobex is:
## ********** GEOMETRY OPTIMIZATION CC2 ********************************
jobex -ri -c 700
# jobex -ri -level mp2 -c 700
jobbsse -ri –opt
## *********************************************************************
## ********** SINGLE POINT CC2 *****************************************
# aoforce > aoforce.out
dscf> dscf.out
ricc2 > adc2.out
# jobex -c 4000 > jobex.out
## *********************************************************************
echo "FINISHED AT " `date`
##########################################
And jobsse
bsseenergy(l02) : TURBOMOLE V6.3 7 Feb 2011 at 15:58:30
Copyright (C) 2011 TURBOMOLE GmbH, Karlsruhe
2014-03-18 14:21:19.768
You need to provide the details for the BSSE calculation!
See define's geometry specification menu, option frag...
========================
internal module stack:
------------------------
bsseenergy
bsseinp
========================
(See Geometry Specification Menu, Option frag)
bsseenergy ended abnormally
bsseenergy ended abnormally
So, I could not understand what is happening.
I glad any help
Jandir