No subject

[Peter Knowles]

Charlie,
This is, unfortunately, a known bug which arises very intermittently,
and, so far, with only very large jobs. We continue to look for a fix,
but until then you can avoid the problem by switching off integral
compression. Insert
nocompress
near the top of your input.
Peter
At Fri, 15 Mar 2002 15:01:43 -0800 (PST),
Charlie Bauschlicher wrote:
> 
> 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

--
Prof. Peter J. Knowles              
Email P.J.Knowles at bham.ac.uk  Phone +44-121-414-7472  Fax +44-121-414-7471
School of Chemical Sciences, University of Birmingham, Birmingham, B15 2TT, UK
WWW http://www.tc.bham.ac.uk/~peterk/