[molpro-user] problem in CI

[Glen Jenness]

Dear Molpro users,
I have a colleague trying to do a CI calculation, but he keeps getting the
following error:

 FILE 7 RECORD    3300 OFFSET=          0. NOT FOUND

 Records on file 7

 IREC   NAME  TYPE        OFFSET    LENGTH   IMPLEMENTATION   EXT   PREV
PARENT  MPP_STATE
   1    3000                  0.       11.         sf          0      0
 0      0
   2    3100                 11.        6.         sf          0      0
 0      0
   3    4000                 17.       33.         sf          0      0
 0      0
   4    4001                 50.       33.         sf          0      0
 0      0
   5    4002                 83.       33.         sf          0      0
 0      0
   6    3800                116.       33.         sf          0      0
 0      0
   7    3802                149.       33.         sf          0      0
 0      0
   8    3700                182.        9.         sf          0      0
 0      0
   9    3200                191.     1452.         sf          0      0
 0      0

 ? Error
 ? Record not found
 ? The problem occurs in readm

Since I've never done any CI calculations with MOLPRO, I'm not quite sure
how to overcome this.  Does anyone have any suggestions?

Thanks!
Glen Jenness

P.S.  Here is his input.


memory,300,m

gprint,orbitals,civector
symmetry,x
orient,noorient
geometry={
         Na;
         Cl1,Na,r2}

basis=avtz

r2=2.4



reforb=2140.2
refci=6000.2
savci=6100.2

text,compute wavefunction at reference geometry

{hf;occ,11,3;wf,28,1;
orbital,2100.2}

{multi;occ,12,3;closed,10,3;
wf,28,1;state,3;
natorb,reforb
noextra}

{ci;occ,12,3;closed,10,3;
wf,28,1;state,3;
thresh,thrdls=1.d-8,thrdlp=8
orbital,reforb
save,refci}
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