[molpro-user] DFT using MolPro2006.2

[Hongli Tao]

Dear All,

I got this error when I tried to do a dft calculation.

  Density functional group B=B88
  Functional: B88(Automatically generated  
B88)                                  Gradient terms: *
  Functional: LYP(Lee-Yang-Parr gradient-corrected correlation energy  
(1988))   Gradient terms: 1
  Use grid at  1800.2

  Functional: B88                       Factor:  1.0000
  Functional: LYP                       Factor:  1.0000

  Generated new metagrid on record  1800.2 with target accuracy  
1.0D-06 and 41124 points in CPU time    0.5
  Computed new grid on record 1800.1 in CPU time    0.7
  insufficient memory available - require       4960947951424378624   
have
                  99997082
  the request was for real words

  ERROR EXIT
  CURRENT STACK:      MAIN

Thank you in advance if you can provide any suggestions!


Hongli