[molpro-user] GETMEM ERROR

John S. Sears gtg390f at mail.gatech.edu
Mon Aug 16 19:12:37 BST 2004


I'm trying to perform a moderately size CP corrected mp2 geometry
optimization and am getting the following error in the CPHF.  Thanks in
advance for any help you can offer with this.
John


Starting Coupled-perturbed Hartree-Fock, convergence threshold= 1.0D-06

 ITER   MIC  DIIS    VAR       VARC       CPU

 GETMEM ERROR IN GETMEM  PData   Allo

  Memory allocation map
  ---------------------

  FldNam   VarTyp            ID   Length     iPos
  - - - - - - - - - - - - - - - - - - - - - - - -
  INFO      REAL      487207043     1278243603522
  SPHERE    REAL      487209601       46243604801
  HERR      REAL      487209695       55243604848
  HERW      REAL      487209807       55243604904
  TMAX      REAL      487209919        5243604960
  DDX       REAL      487209931        5243604966
  IMAP      INTE      487209943     4851487209943
  IX0       REAL      487214795      162243607398
  IMAP      INTE      487215121     6602487215121
  IX0       REAL      487221725      196243610863
  IMAP      INTE      487222119     5635487222119
  IX0       REAL      487227755      173243613878
  IMAP      INTE      487228103     6337487228103
  IX0       REAL      487234441      211243617221
  IMAP      INTE      487234865     5027487234865
  IX0       REAL      487239893      180243619947
  CFFRW1    REAL      487240255     2268243620128
  CFFRW2    REAL      487244793     5488243622397
  CFFRW3    REAL      487255771     7266243627886
  CFFRW4    REAL      487270305    11816243635153
  CFFRW5    REAL      487293939    12600243646970
  HERR2     REAL      487319141       15243659571
  HERW2     REAL      487319173       15243659587
  ISD       INTE      487319205      893487319205
  IGATIM    REAL      487320099       80243660050
  IGASTAT   REAL      487320261       28243660131
  TSKMAP    REAL      487320319      800243660160
  TSKQ      REAL      487321921      800243660961
  TSKLST    INTE      487323523      588487323523
  K2        REAL      487324113   806482243662057
  INDIJ     INTE      488937079     2256488937079
  DEDE      INTE      489012901     3384489012901
  DEDE2     REAL      489016287    87718244508144
  DE00      REAL      489191725      198244595863
  ISOSYM    INTE      489192123      530489192123
  PDATA     INTE              0    70225        0

 ERROR EXIT
 CURRENT STACK:      MAIN


John Steven Sears
Center for Computational Molecular Science and Technology
School of Chemistry and Biochemistry
Georgia Institute of Technology
Atlanta, GA 30332-0400
Office: Boggs 3-19
Phone: 404-385-1310
Email: john.sears at chemistry.gatech.edu





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