UT theoretical chemistry code forum

Dear everybody

I'm newbee in using linux system and the vtstscripts,,,,,,I read from http://theory.cm.utexas.edu/vtsttools/scripts/ the procedure to install,,,,,,,,it was stated that I need to

"adding the vtstscripts directory to your path"

so I add a line in my .bashrc like this

#-------------------------------
#this is for vtstscript

export PATH=$HOME/vtstscripts:$PATH

However when I try to run the scripts,,,,,,,,,it happen like this :

[revival@localhost vtstscripts]$ vasp2xyz POSCAR poscarxyz
bash: vasp2xyz: command not found

Is there something that I miss that I forgot to do???

I'm sure that I have perl in my mandriva system,,,,,,this is the version of perl :

[revival@localhost vtstscripts]$ perl -v

This is perl, v5.10.0 built for i386-linux-thread-multi
(with 1 registered patch, see perl -V for more detail)

Copyright 1987-2007, Larry Wall

Perl may be copied only under the terms of either the Artistic License or the
GNU General Public License, which may be found in the Perl 5 source kit.

Complete documentation for Perl, including FAQ lists, should be found on
this system using "man perl" or "perldoc perl". If you have access to the
Internet, point your browser at http://www.perl.org/, the Perl Home Page.

Thanks so much everyone that read my topic and give me a help

GBU

Try two things:

First, you have to type the .pl, so use:

vasp2xyz.pl POSCAR

Second, that small script was not well written - it assumed a location for the perl binary. I've fixed it, so try downloading a new version of the scripts and run the command again.

Dear graeme

Thanks so much for your reply,,,,I try the new script just now and type the vasp2xyz.pl and it works,,,,,,WOW amazing,,,,

I will play around now with the vtstscripts........Thanks so graeme and UT AUSTIN

GBU