No subject

Charlie Bauschlicher bauschli at pegasus.arc.nasa.gov
Fri Mar 15 23:01:43 GMT 2002


any suggestions on where to look for the problem associated
with this error message?

buffer overflow in uncompress_double 360 -29332


output
1PROGRAM * CCSD (Restricted open-shell coupled cluster)     Authors: C. Hampel, H.-J. Werner, 1991, M. Deegan, P.J. Knowles, 1992


 Thresholds:               ZERO  = 0.10E-11    THRDLP= 0.10E-06    PRINT = 0.00E+00    THRINT= 0.10E-05    ENERGY= 0.10E-09
                           COEFF = 0.10E-12    SPARSE= 0.10E-09    PNORM = 0.10E-07    EQUAL = 0.00E+00    DEPRI = 0.10E+11
                           THRGPS= 0.00E+00    THRDIS= 0.20E+00    THRREF= 0.10E-04    PUNCH = 0.99E+02    THRLOC= 0.10E-05
                           THRORB= 0.10E-05    THRDIA= 0.10E-09    THRCS = 0.10E-09    THRDLS= 0.10E-06    THRKEX= 0.00E+00
                           SPARFA= 0.10E+01    THRPIP= 0.10E-08    THRMLT= 0.00E+00    THRCPQ= 0.10E-10

 CCSD(T)     terms to be evaluated (factor= 1.000)


 Number of core orbitals:          9 (  3  2  2  0  2  0  0  0 )
 Number of active  orbitals:       4 (  1  0  0  1  0  1  1  0 )
 Number of external orbitals:     87 ( 21 13 13  8 13  8  8  3 )

 Number of N-1 electron functions:               4
 Number of N-2 electron functions:               6
 Number of singly external CSFs:                49
 Number of doubly external CSFs:              2922
 Total number of CSFs:                        2971

 Molecular orbitals read from record     2142.2  Type=RHF/CANONICAL (state 1.1)

 Reference energy:                   -848.38771216
buffer overflow in uncompress_double 360 -29332

Charlie Bauschlicher



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