Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



AIMPAC problem (Firefly 8.0.0 RC, April 10, 2013)

Anton Cherkasov
ach@iomc.ras.ru


Attempt to use AIMPAC=.T. instruction causes the error and stop the computation.

Control group from input file:

$CONTRL EXETYP=CHECK $END
$CONTRL SCFTYP=UHF RUNTYP=OPTIMIZE DFTTYP=B3LYP $END
$CONTRL MAXIT=512 $END
$CONTRL MULT=1 $END
$CONTRL AIMPAC=.T. $END
$CONTRL NZVAR=234 $END

Fragment of output file:

**** ERROR READING INPUT GROUP $CONTRL   *****
THE PROBLEM IS WITH THIS CARD, BEFORE OR NEAR THE $ POINTER
$CONTRL AIMPAC=.T. $END                                                    
                       $

LEGAL KEYWORDS FOR THIS GROUP ARE:
SCFTYP    RUNTYP    EXETYP    ICHARG    MULT      UNITS  
INTTYP    LOCAL     MAXIT     NPRINT    IREST     NORMF  
NORMP     ITOL      ICUT      NZVAR     NOSYM     GEOM    
MPLEVL    AIMPAC    ECP       PLTORB    MOLPLT    RPAC    
COORD     FRIEND    NOSO      CITYP     WIDE      OLDECP  
DFTTYP    D5        FSTINT    LEXCUT    REORDR    GENCON  
NUMDER    DFTD    
ERROR IN $CONTRL INPUT - STOP

Computation runs OK without this instruction.


[ Previous ] [ Next ] [ Index ]           Fri May 17 '13 5:29pm
[ Reply ] [ Edit ] [ Delete ]           This message read 828 times