AMBER Archive (2006)

Subject: Re: AMBER: R.E.D II

From: FyD (fyd_at_u-picardie.fr)
Date: Tue Jul 04 2006 - 02:47:51 CDT

Quoting Franck_Vendeix_at_ncsu.edu:

> * Software checking *
> rungms [ OK ]
> gamess.00.x [ OK ]
> resp [ OK ]
>
> The structure/conformation(s) is/are being optimized ... [ FAILED ]
> See the file "JOB1-gam1.log"
>
> Press Enter to exit
>
> The file 'JOB1-gam1.log' is not being created therefore its not possible
> to check the content of the error message. Could you (or anybody) please
> tell me what to do to get rid of this problem and make R.E.D II works with
> this version of GAMESS? Thanks

- Did you read the R.E.D. II manual pages 6-8 ?
- See also http://www.u-picardie.fr/labo/lbpd/RED/FAQ-II.htm#2

R.E.D. checks at the beginning of the output:
 The author names to idenfify GAMESS or Gaussian ouput
at the end of the job:
 EXECUTION OF GAMESS TERMINATED NORMALLY
Just before the Cartesian coordinates of the stationary point, the presence of:
     EQUILIBRIUM GEOMETRY LOCATED

If you do not have one of these set of words you get a [ FAILED ] job...

regards, Francois
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