Posted by Muhammed on February 08, 2011 at 15:06:10:
Hello all,
I was trying out the examples in the manual, but when i run the example CASPT2.excited_solvent.acrolein( excited state in water for acrolein ) I get the following error after the module RASSCF starts. I couldnt find anything when I googled the result and manual doesnt say anything about PROC_INP, I guess this is not a common problem, what should I do, what can be the reason?
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Error exit 9920 from PROC_INP.
RASSCF Error: Proc_Inp failed unexpectedly.
Here is a printing of the input file that.
was processed:
&RASSCF
Spin
1
Nactel
6 0 0
Inactive
12
Ras2
5
CiRoot
1 1 1
End of Input
Memory allocation map at Finish
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FldNam VarTyp ID Length iPos
- - - - - - - - - - - - - - - - - - - - - - - - -
AW REAL 2 1***********
- - - - - - - - - - - - - - - - - - - - - - - - -
--- Stop Module: rasscf at Tue Feb 8 14:34:05 2011 /rc= _INPUT_ERROR_ ---
User input error
...................................................................................................
...................................................................................................
.....Sorry to interrupt the festivities, Dave, but I think we've got a problem.....................
.....It can only be attributable to human error....................................................
...................................................................................................
Non-zero return code - check program input/output
--- Stop Module: auto at Tue Feb 8 14:34:05 2011 /rc= _INPUT_ERROR_ ---
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