CCL:G: Error in Gaussian 03
- From: "Sergio Manzetti"
<sergio.manzetti=gmx.com>
- Subject: CCL:G: Error in Gaussian 03
- Date: Fri, 05 Apr 2013 11:43:38 +0200
Dear all, running
a single point calculation with frequencies, at the cc-aug-pVQZ level of theory,
I got this error message:
**** Warning!!: The smallest
alpha delta epsilon is 0.93132055D-01
Leave Link
801 at Tue Apr 2 10:15:50 2013, MaxMem= 1048576000
cpu: 0.8
(Enter
/home/maaren/Gaussian64/g03/l1101.exe)
Using compressed storage,
NAtomX= 37.
Will process 38 centers per
pass.
PrsmSu: requested number of processors reduced
to: 3 ShMem 1 Linda.
Leave Link 1101 at Tue
Apr 2 10:17:13 2013, MaxMem= 1048576000 cpu:
272.5
(Enter /home/maaren/Gaussian64/g03/l1102.exe)
Use
density number 0.
Symmetrizing basis deriv contribution to polar:
IMax=3 JMax=2 DiffMx= 0.00D+00
Leave Link 1102 at Tue
Apr 2 10:17:22 2013, MaxMem= 1048576000
cpu: 7.3
(Enter
/home/maaren/Gaussian64/g03/l1110.exe)
Forming Gx(P) for the SCF
density, NAtomX= 37.
Integral derivatives from
FoFDir, PRISM(SPDF).
Do as many integral derivatives as possible in
FoFDir.
G2DrvN: MDV= 1048575702.
G2DrvN:
will do 19 centers at a time, making 2 passes
doing MaxLOS=4.
G2DrvN: IPasSy=1 do centers 0
through 18.
Calling FoFCou, ICntrl= 3507 FMM=F
I1Cent= 0.
FoFCou: FMM=F
IPFlag= 0
FMFlag= 0
FMFlg1= 0
NFxFlg= 0
DoJE=F BraDBF=F KetDBF=F FulRan=T.
Symmetry not used in FoFCou.
G2DrvN: IPasSy=1 do centers 19 through 37.
Calling FoFCou, ICntrl= 3507 FMM=F I1Cent= 0.
FoFDir/FoFCou used for L=0 through L=4.
Leave Link 1110 at
Thu Apr 4 15:24:03 2013, MaxMem= 1048576000 cpu: 764534.5
Internal input file was deleted!
Error termination via Lnk1e
at Thu Apr 4 15:24:08 2013.
What does this imply, and
which measure can be made to correct it?
Cheers
Sergio