Running ARIA

Run command

After a successful setup start ARIA by invoking the command:

aria2 new_project.xml 

Use the GUI to modify protocol- or minimization-parameters. As long as no data-files or CNS protocols have been changed, it is not necessary to setup the project again.

The run creates a temporary directory aria_temp.xxxx, where xxxx is a randomly generated id. This directory is described in the section 'Additional information to put in the project xml file' in the page ARIA project preparation.

To store ARIA ouput, simply use the "--ouput" option:

aria2 --output=aria.log new_project.xml 

To avoid checking the hosts listed in the ARIA project, use the "--no-test" option. (required for qsub)

aria2 --no-test new_project.xml 

Generic example

A test calculation for the HRDC domain is contained into the directory: examples/werner of the ARIA distribution tarball.

This example is also presented in the folder Tutorials.