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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