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Re: FATAL: INTEGER OVERFLOW IN -PALDUS-

Alex Granovsky
gran@classic.chem.msu.su


Hi,

this message means that there are more CSFs than can be
represented by the computer's integer... and that anyway
this job cannot be run because of huge number of CSFs, memory
requirements, etc...

Check the following link :-)

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C3a7cd1668U2I-7017-806-00.htm

regards,
Alex Granovsky

On Tue Apr 6 '10 7:29pm, Solntsev Pasha wrote
---------------------------------------------
>I ran MCSCF/Energy computation in parallel mode and got this error.

>This is a head of my input file
> $CONTRL SCFTYP=MCSCF RUNTYP=energy EXETYP=run MAXIT=100 MULT=1
> d5=.t. inttyp=hondo icut=11 itol=30  $END
> $contrl fstint=.t. gencon=.t.   $end
> $SYSTEM TIMLIM=999999990 mwords=100  kdiag=0 nojac=100  $END
> $BASIS GBASIS=n311 ngauss=6 ndfunc=1 npfunc=1  $END
> $trans mptran=2 dirtrf=.t. aoints=dist altpar=.t. mode=112    $end
> $drt group=c1 fors=.t.
> nmcc=154 ndoc=5 naos=7 nbos=7 nval=10 nfzv=5 next=-1 $end
> $mcscf  cistep=guga soscf=.t. maxit=150 micit=10 fullnr=.f.  $end
> $SCF DIRSCF=.TRUE. $END
> $p2p p2p=.t. dlb=.t.  $end
> $smp call64=.t. $end
> $DATA

>Any advices?

>Best, Pavel.
>
>
>


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