[molpro-user] CASSCF - insufficient memory available

[Joseph Lane]

I am trying to run a CASSCF calculation with 18 active orbitals and 24  
active electrons. The job terminates with an insufficient memory error,  
requiring 517 Mega Words. When I specify more memory than this (600MW or  
more, the error still occurs and the amount of memory that it claims to  
have is significantly less than specified.


ITER. MIC  NCI  NEG     ENERGY(VAR)     ENERGY(PROJ)   ENERGY CHANGE      
GRAD(0)  GRAD(ORB)   GRAD(CI)     STEP       TIME

  insufficient memory available - require             516943728  have
               2879309
  the request was for real words

  ERROR EXIT
  CURRENT STACK:      MAIN


Is there any sort of hard coding that is preventing me from running this  
calculation and if so how might I circumvent this problem


N.B We are running molpro 2002.6 mpp version on an SGI ALTIX 350, 8 CPU,  
16GB RAM. SGI Propack 3, Service Pack 4



Kind regards

-- 
Joseph Lane
Department of Chemistry
University of Otago
P.O. Box 56
Dunedin, New Zealand
ph +64 3 479 5214
email : jlane at alkali.otago.ac.nz