The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Yongting Ma,

ytma@gwu.edu wrote:
> Dear stuffer: I am a new user of abinit, after I have finished the 
> turtorials, I want to continue
> it. So I want to  change some parameters. In the lessons of turtorial, there 
> are five files such as
> t1x.files. When I input some parameter, It will be run. Now I want to run the 
> Test_V files, I can't
> find the files such as t2x.files. So I can't run it. can you give me some 
> help?

You can run the automatic tests by using the RunTests.pl script, found
in the top ABINIT directory. This script is quite
elaborated : the goal of this script is not to run one job at a time,
but to run many different jobs, and then, to compare with reference files.
The "files" file is automatically generated from the *.cnf files
contained in the different Test_v* directories.

Basically, if you
want to run only one of the automatic tests, with the "abinis" main
program, the *.files file is quite easy to create, except that you should
know the pseudopotential file to use.
You will find, for each test, the name of pseudopotential(s) that have been 
used,
in the *.cnf file. The pseudopotentials are contained in the 
~ABINIT/Psps_for_tests
directory.

Hoping this help ...
Xavier Gonze