| 6:36:23 AM PDT - Tue, Jun 3rd 2014 |
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Hello,
I am attempting to predict excited state transitions for two base pairs.
But I am getting the error: Quote:hhg
bsse_energy: rtdb_put of nopen failed 0
bsse_energy: rtdb_put of nopen failed 0
bsse_energy: rtdb_put of nopen failed 0
bsse_energy: rtdb_put of nopen failed 0
bsse_energy: rtdb_put of nopen failed 0
------------------------------------------------------------------------
An error occured in the Runtime Database
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
I cannot find a solution to this on the internet. where this is the input file:
Quote:hhg echo
memory total 3998 mb
start C_C
title "C_C"
charge 0
geometry units angstroms print xyz
N 19.728 20.931 21.72900
C 19.705 20.366 20.48000
H 19.460 19.320 20.37000
C 19.986 21.095 19.37600
H 19.969 20.622 18.39300
C 20.307 22.483 19.57500
N 20.599 23.249 18.53900
H 20.824 24.224 18.67800
H 20.594 22.864 17.60400
N 20.329 23.028 20.79600
C 20.039 22.274 21.89400
O 20.050 22.741 23.03900
N 16.845 24.630 23.13000
C 16.863 23.482 22.38500
H 16.639 22.535 22.85400
C 17.159 23.506 21.06500
H 17.175 22.578 20.49300
C 17.452 24.792 20.48600
N 17.756 24.887 19.20500
H 17.961 25.788 18.79900
H 17.781 24.058 18.62600
N 17.434 25.910 21.22100
C 17.129 25.859 22.54800
O 17.104 26.870 23.26000
H 19.52178 20.37847 22.51730
H 16.62832 24.58427 24.08927
end
basis
* library sto-3g
end
dft
xc ssb-d
noio
direct
end
tddft
cis
nroots 10
notriplet
end
bsse
mon Cfive 1 2 3 4 5 6 7 8 9 10 11 12 25
mon Cthree 13 14 15 16 17 18 19 20 21 22 23 24 26
end
scratch_dir scratch
task tddft energy
This is a small debugging input (hence STO-3G) How can I solve this?
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