Subject: Re: CCL:G:Transition state search and link 9999 error

From: Stanislaw Kucharski <[email-masked]>
Date: Mon, 17 Nov 1997 16:47:09 +0100 (MET)

This is not PM-3 to be blamed. It is probably a program fault. We have
similar problems with G94 running under Unix (IBM and SGI). The
computation is frequently broken with a message:
Error termination via Lnk1e in .... and here comes /directory/module.exe

Is it a bug in G94?

S.Kucharski

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On Sun, 16 Nov 1997, Douglas E. Stack wrote:

> 
> When trying to do a transition state search using the PM3 semi-empirical =
> method, the program always quits after one optimization cycle and gives =
> the following message:
> 
> GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
> 
> 
> 
>  THERE'S SMALL CHOICE IN A BOWL OF ROTTEN APPLES.
>                      SHAKESPEARE
>  Error termination request processed by link 9999.
>  Error termination via Lnk1e in /disk2/gaussian/g94/l9999.exe.
>  Job cpu time:  0 days  0 hours 14 minutes  0.9 seconds.
>  File lengths (MBytes):  RWF=3D    6 Int=3D    0 D2E=3D    0 Chk=3D    3 =
> Scr=3D    1
> 
> This happens using either OPT=3DTS with one structure or OPT=3DQST2 =
> using two structures.
> What's happening?? =20
> Program :
> Gaussian 94:  SGI-G94RevB.3 30-May-1995
>                13-Nov-1997
> 
> 
> 
> Douglas E. Stack=09
> Assistant Professor
> Department of Chemistry
> University of Nebraska at Omaha
> Omaha, NE 68182-0109
> (402) 554-3647
> (402) 544-3888 (fax)
> [email-masked]
> 
> 
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