[molpro-user] "2-ext paging plus 3-ext ints not yet working" error message during mp2 calculation

Cong Wang eclipse at chem.helsinki.fi
Tue Oct 5 05:57:49 BST 2010

Dear everyone,


 I tried to do a mp2 calculation for a van der waals complex, such an
error message appears

1PROGRAM * MP2 (Closed-shell)     Authors: C. Hampel, H.-J. Werner,
1991, M. Deegan, P.J. Knowles, 1992

 Convergence thresholds:  THRVAR = 1.00D-08  THRDEN = 1.56D-06

 Number of core orbitals:          20 (   9   4   5   2 )
 Number of closed-shell orbitals:  19 (   7   5   5   2 )
 Number of external orbitals:     572 ( 165 129 155 123 )

 Molecular orbitals read from record     2100.2  Type=RHF/CANONICAL (state 1.1)

 Number of N-1 electron functions:              19
 Number of N-2 electron functions:             190
 Number of singly external CSFs:              2821
 Number of doubly external CSFs:          14784864
 Total number of CSFs:                    14787686

 Length of J-op  integral file:               0.00 MB
 Length of K-op  integral file:               6.54 MB

 Multipassing necessary in transformation. To avoid, increase memory
by       3845495 words

 ? Error
 ? 2-ext paging plus 3-ext ints not yet working (kintc)!
 ? The problem occurs in cckint
kr.out byte 24417/24417 (END)

  I tried to google such message, there is a thread but seems no solution

  How to solve this problem? If you need any other information, please
let me known

with best regards
Cong Wang

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