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: [EMAIL PROTECTED]
