AMBER Archive (2006)

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

From: FyD (fyd_at_u-picardie.fr)
Date: Wed Jul 05 2006 - 01:55:13 CDT

Quoting Franck_Vendeix_at_ncsu.edu:

> No output files were generated by Gamess when RED was executed. I think I
> did not setup my .cshrc profile correctly. Could you please send your
> example of .cshrc file that you use for Gamess?. I am a bit confused with
> the example of .cshrc file given in the RED II manual p. 7.

My .cshrc is written in the manual...

For GAMESS and tcsh/csh SHELL, you just need to set the $PATH variable to find
the GAMESS binaries...

set path = ($path The-GAMESS-directory)

Did you check your shell ? echo $SHELL

> I did a mistake by replacing the ‘which rungms’ (in the RED script) by
> the /home/franck/gamess/rungms. This is the location of the gamess
> executable on my machine. The same mistake was made for gamess.01.x,
> ddikick.x and resp. Hence the program verification seemed to run fine but
> gamess (including gamess.01.x, ddikick.x etc...) was not able to be
> executed by running RED.

You should not modify the code except if you know what you do...

regards, Francois

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