CCL:G: about l502.exe error



 Sent to CCL by: Barbara Jagoda-Cwiklik [barbara^fh.huji.ac.il]
 On Mon, Mar 23, 2009 at 10:41 PM, gungun lin lingungun*|*163.com
 <owner-chemistry##ccl.net> wrote:
 >
 > Sent to CCL by: "gungun  lin" [lingungun##163.com]
 > Hi, all:
 > i have solved the problem l103.exe error with the suggestions by Ol Ga and
 Denis.
 > but now i have faced a new problem which obsessed me a whole day.
 >
 >  Cycle   1  Pass 1  IDiag  1:
 >  FoFCou: FMM=T IPFlag=           0 FMFlag=      990000 FMFlg1=        4097
 >  NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T.
 >  Symmetry not used in FoFCou.
 >  FMM levels:   4  Number of levels for PrismC:   2
 >  RepCel:  MaxNCR=       5 NClRep=       5 NMtPBC=       5.
 >  Spurious integrated density or basis function:
 >  NE=   78 NElCor=    0 El error=1.98D-01 rel=2.54D-03 Tolerance=1.00D-03
 >  Shell    18     absolute error=3.64D-02              Tolerance=1.20D-02
 >  Shell     3       signed error=3.06D-02              Tolerance=1.00D-01
 >  Inaccurate quadrature in CalDSu.
 >  Error termination via Lnk1e in C:\G03W\l502.exe at Mon Mar 23 21:33:27
 2009.
 >  Job cpu time:  0 days  0 hours 11 minutes 48.0 seconds.
 >  File lengths (MBytes):  RWF=    265 Int=      0 D2E=      0 Chk=      1
 Scr=     1
 > ---------------------------------------------------------
 >
 >
 > your suggestions will be appreciated! thanks a lot!
 >
 Dear Lin Gungun,
 You might have seen this page already, but maybe some solutions will be
 useful to you:
 http://people.uleth.ca/~stacey.wetmore/errors.html
 Good luck,
 Basia
 --
 Barbara Jagoda-Cwiklik, Ph.D
 The Fritz Haber Research Center for Molecular Dynamics
 Institute of Chemistry
 The Hebrew University of Jerusalem
 Jerusalem, ISRAEL
 e-mail: barbara##fh.huji.ac.il