READM: TRYING TO READ BEYOND RECORD BOUNDARY:

[Jacek Klos]

Dear Molpro users,
I hit the following problem in molpro 2002.6 in IC CI calculations.
I have CASSCF calculations going OK from following cards:

 casscf;occ,8,3,3,1;closed,5,2,2,0;core,1,0,0,0;pspace,100.0;
 wf,22,4,2;state,2;lquant,0,2;
 wf,22,2,2;lquant,1;
 wf,22,3,2;state,2;lquant,1,3;
 wf,22,1,2;lquant,2;maxit,90;

then I want to do CI using state, and refstate card:

 mrci;occ,8,3,3,1;closed,5,2,2,0;core,1,0,0,0;
 wf,22,4,2;state,2;refstate,1,1;

MRCI iterations are going on and then in  the end the job exits after 
finishing MRCI iterations with error :

 Analysis of CPU times by interactions    
 -------------------------------------    
   
       I      S      P 
   
 I   1.1% 
 S   0.8%  55.4% 
 P   0.2%  35.7%   2.8% 
   
 Initialization:   0.1% 
 Other:            4.0% 
   
 Total CPU:     2388.1 seconds 
 =====================================    
   
   
   
 Reference coefficients greater than 0.0500000 
 --------------------------------------------- 
 22222+0220220+           0.9602168   0.0000012    
 222220022+22+0           0.0000000   0.8412002    
 222220+220220+           0.0000000  -0.4935419     
   
 Coefficients of doubly external configurations greater than 0.0500000 
 --------------------------------------------------------------------- 
   
 PAIR    I     J   ->   K     L     NP  SYM  REF     COEFFICIENTS
 
  44    8.1   7.1     40.1  40.1     1   1    1    0.00000262  0.13698461
  42    8.1   6.1     40.1  40.1     1   1    1   -0.00005267 -0.13541096
  44    8.1   7.1     20.1  20.1     1   1    1    0.00000228  0.11665369
  42    8.1   6.1     20.1  20.1     1   1    1   -0.00004569 -0.11531142
  44    8.1   7.1     20.1  40.1     1   1    1    0.00000223  0.11518084
  42    8.1   6.1     20.1  40.1     1   1    1   -0.00004483 -0.11385690
  44    8.1   7.1     18.2  18.2     1   1    1    0.00003568  0.11205087
  44    8.1   7.1     18.3  18.3     1   1    1   -0.00003330  0.11204126
and so on I cut it for space,
in the end:
 READM: TRYING TO READ BEYOND RECORD BOUNDARY: 
 RECORD     3800.7  EXTENSION= 1  OFFSET=          0.  ADDRESS=    37954.  
LEN=        9664  LENREST=        4832
   
 Records on file 7     
   
 IREC   NAME  TYPE        OFFSET    LENGTH   IMPLEMENTATION   EXT   PREV   
PARENT  MPP_STATE
   1    3000               4096.     4832.         df          0      0      
0      0
   2    3100               8928.        6.         df          0      0      
0      0
   3    4000               8934.     9664.         df          0      0      
0      0
   4    4001              18598.     9664.         df          0      0      
0      0
   5    4002              28262.     9664.         df          0      0      
0      0
   6    3700              37926.       28.         df          0      0      
0      0
   7    3800              37954.     4832.         df          0      0      
0      0
   8    3802              42786.     4832.         df          0      0      
0      0

Any hint will be apreciated.
Best regards
-- 
Jacek A. Klos
---------------------------------
Quantum Chemistry Laboratory     |
Department of Chemistry          |
University of Warsaw             |
Pasteura 1 Street                |
02-093 Warsaw                    |
Poland                           |
(+4822)8220211 ext. 213          |
e-mail: jakl at tiger.chem.uw.edu.pl|
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