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Alex Granovsky
gran@classic.chem.msu.su

It looks like you are using GAMESS (US), not Firefly.
This message can be caused by some bugs in GAMESS (US) code or wrong input.
It is good idea to ask on GAMESS (US) forum or ask GAMESS
developers directly.

Kind regards,
Alex Granovsky




On Fri Jan 13 '12 4:10am, andy yang wrote
-----------------------------------------
>Dear all:
> I encountered a problem when I calculate polymer by using elongation method. the keywords are
> $ELGPRP ELGTYP=.TRUE. NBUNT=3 NSTP=6
> ... the description of division and bond type...
> $ELG NELONG=3 NATM=35 NASPIN=0 NTMLB=1 LDOS=0 NCT=0 I2EA=1
> NRSTRT=5 $END
> $CONTRL SCFTYP=RHF RUNTYP=ENERGY MULT=1 ICHARG=0 MAXIT=200
> COORD=UNIQUE UNITS=ANGS NZVAR=0 NPRINT=-5 $END
> $SYSTEM MEMORY=1000000000 $END
> $SCF CONV=1.0d-8 SHIFT=.TRUE. DIRSCF=.TRUE. DIIS=.FALSE. $END
> $BASIS GBASIS=STO NGAUSS=3 $END
> $DATA
> ... the description of coordinates...
> $END
>
>I used the NRSTRT=5 and NSTP=6, because I stopped at the 7th elongation step. so I used these two keywords to restart to calcualtion. but the error information came out when the program started to make RHF SCF calculation. they are as follows:

>ERROR *** ATTEMPTING A BOGUS READ OF A DAF RECORD.
> RECORD NUMBER 15 OF LENGTH 1340964 WAS NEVER PREVIOUSLY WRITTEN.
>
> THIS ERROR IS LIKELY TO BE A BUG IN THE PROGRAM, BUT
> PLEASE CONSIDER INPUT ERRORS AS A POSSIBLE CAUSE, TOO.
> MANUAL CHAPTER -PROG.DOC- HAS A LIST OF ALL DIRECT ACCESS FILE RECORD NUMBERS,
> WHICH WILL HELP YOU UNDERSTAND WHAT THE INCORRECT DATA IS SUPPOSED TO BE.
>
> EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Jan 11 09:03:12 2012

>How to correct this error? I am looking forward to your suggestions or comments. Thanks.

>Yours

>Andy YANG