[molpro-user] How to solve "insufficient memory available" ? If value of RAM is fixed.

[eurisco1 at pochta.ru]

Dear Molpro users and Developers,

Would I ask you how can I bypass error message "insufficient memory available" without increasing RAM? 


                                         ***  PROGRAM SYSTEM MOLPRO  ***
                         Copyright, University College Cardiff Consultants Limited, 2008

                                    Version 2009.1 linked 7 Oct 2009 04:37:14 

My input file is 

memory,350,m                                                                    !A title
 geomtyp=xyz
 geometry={
  6
  N,            0.00000000,    0.00000000,    0.00000000
  O,            1.14579102,    0.00000000,    0.00000000
  O,            -0.50567845,    1.47752235,    0.00000000
  O,            -1.88788849,    1.44455138,   -0.05045267
  N,            -2.49517716,    1.31552891,    1.35797901
  O,            -1.70966612,    1.17934005,    2.18635594
 }
 basis=VdZ                                                                       !use VdZ basis
 {hf;wf,46,1,0,0}
 {multi;occ,28;closed,18;wf,46,1,0,0}
 rs2,maxit=512,maxit=512;
 optg                                                                            !do
 ---




Error message:

Number of electrons in valence space:                     34
 Maximum number of open shell orbitals in reference space: 10
 Maximum number of open shell orbitals in internal spaces: 14


 Number of core orbitals:           6 (   6 )
 Number of closed-shell orbitals:  12 (  12 )
 Number of active  orbitals:       10 (  10 )
 Number of external orbitals:      56 (  56 )

 Molecular orbitals read from record     2140.2  Type=MCSCF/NATURAL (state 1.1)

 Coulomb and exchange operators available. No transformation done.

 Number of p-space configurations:   2
 insufficient memory available - require             3229793952  have 
             153358955
 the request was for real words



I am testing input file in serial mode before submit it on cluster.

Sincerely,

PhD student Oleg B. Gadzhiev





















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