[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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