CCL:G: about l502.exe error
- From: Barbara Jagoda-Cwiklik <barbara|*|fh.huji.ac.il>
- Subject: CCL:G: about l502.exe error
- Date: Tue, 24 Mar 2009 13:18:01 +0200
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