rtdbget failed, error occured in runtime database
Clicked A Few Times
11:44:14 AM PDT - Thu, May 8th 2014
I am experiencing this error when i run the code below:

dpinput:rtdbget failed 11
------------------------------------------------------------------------

An error occured in the Runtime Database

dpinput:rtdbget failed       11


I am not sure what the problem is. Any suggestions?
______________________________________________________________________________________
title "DFT B3LYP_LANL2DZ Pd1Ni7"
start Pd1Ni7

permanent_dir /student/chemistry/shenna/MODEL/Pd1Ni7/M05/tmp1
scratch_dir /student/chemistry/shenna/MODEL/Pd1Ni7/M05/tmp1

echo

geometry units angstrom noautoz autosym
Ni 0.81003009 -0.74759421 1.22299901
Ni -0.71289628 1.16146550 1.78909538
Ni 1.71631594 1.55683625 1.56001402
Ni 0.20320851 2.06194776 -0.36365366
Ni 2.03177248 0.41039896 -0.59056008
Pd -1.11334177 -0.14467525 -0.37065233
Ni 0.80170090 -1.64929095 -1.13591600
Ni 0.33166181 0.52715065 -2.36502838
end

ecce_print /student/chemistry/shenna/MODEL/Pd1Ni7/M05/ecce1.out

basis
Pd library "LANL2DZ_ECP"
Ni library "LANL2DZ_ECP"
end

ecp
Pd library "LANL2DZ_ECP"
Ni library "LANL2DZ_ECP"
end

driver
clear
maxiter 999
xyz final
end

dft
iterations 999
xc B3LYP
disp vdw 3
mulliken
print "mulliken ao"
end


task dft optimize
task dplot

property
all
end

task dft property
task freq numerical

Forum Vet
3:34:02 PM PDT - Thu, May 8th 2014
Could you please post more lines of your output file?

Clicked A Few Times
7:08:55 AM PDT - Mon, May 12th 2014
dpinput:rtdbget failed 11
------------------------------------------------------------------------

An error occured in the Runtime Database

dpinput:rtdbget failed       11

------------------------------------------------------------------------

An error occured in the Runtime Database

------------------------------------------------------------------------

For more information see the NWChem manual at

http://nwchemgit.github.io/index.php/NWChem_Documentation

Forum Regular
1:59:34 PM PDT - Mon, May 12th 2014
Hi Shenna,

I think the problem might be that you haven't specified what you want DPLOT to do. I.e. there should be an input block

   dplot

       ...

   end

I am trying that right now.
By the way, you should also specify a theory for the frequency calculation, i.e. "task dft freq numerical".

Best wishes, Huub

Forum Regular
4:55:50 PM PDT - Mon, May 12th 2014
Hi Shenna,

Just to confirm what I wrote previously. The DPLOT input block sets all the dplot variables in the runtime database. When TASK DPLOT is invoked the code expects to find those variables on the runtime database to tell it what to do. The dplot code has no defaults for those so if they are not present the code just produces an errors and terminates. Please, check the manual for the dplot options and provide a suitable dplot input block.

Best wishes, Huub

Clicked A Few Times
11:51:13 AM PDT - Fri, May 16th 2014
Thank you! Your awesome!


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