Re: AMBER: R.E.D II

From: FyD <fyd.u-picardie.fr>
Date: Wed, 05 Jul 2006 08:55:13 +0200

Quoting Franck_Vendeix.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


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jul 09 2006 - 06:07:05 PDT
Custom Search