[molpro-user] MXDOMT exceeded 59712

[Hanusha Bhakhoa]

Dear Molpro users,

Greetings.

I am running a molpro job using the local correlation CCSD(T) method.
However, the job stops with the following error

Number of orbital triples:     1244  Number of 3-external CSFS:13925097544

 Triples domains:           min=  24  max= 336  average= 131
 United T domains:          min= 326  max= 486  average= 344
 Triples per orbital:       min=  14  max= 388  average=  42
 in reltripldom: *MXDOMT exceeded                 59712*

Can you please tell me what does this problem mean and can you  suggest a
possible solution it?

My input file is as follows (if that could be of some help):

***, SNa+
 memory,1000,m                   ! memory

geomtyp=xyz        ! use cartesian coordinates xmol style
geometry={
57              ! Number of atoms
NaC16H32S8
  S         0.471633000000      1.956945000000      2.326652000000
  S         0.204000000000      2.887689000000     -1.098509000000
   |
   |
   |
   |
  H         2.536661000000      3.159891000000      2.739697000000
  H         2.541254000000      1.532767000000      3.437816000000
  C         0.000000000000     -3.614609000000      1.682160000000
  H         1.101178000000     -3.587076000000      1.688204000000
  H        -0.298961000000     -4.371262000000      2.427240000000
}

basis={
default,vdz
set,mp2fit
default,vdz/mp2fit
set,jkfit
default,vdz/jkfit }

cfit,F3EXTSIZE=200.0
DF-hf
DF-LUCCSD(T)

Thank you in anticipation.

Kind regards,
Hanusha
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