Champion

From Henkelman Group

Example submit script for a single node (up to 8 processors (tasks)):

llsubmit ll_vasp

[edit] Commands

showq - see a list of all jobs
llq - see a list of all currently-running jobs
llcancel jobid - cancel the job with id jobid
quota - see how much space you've used 

[edit] Setting up an account

When using lonestar2, make sure to keep all work in your work directory and not your home directory. There is a strict quota on the disk usage in your home directory. If this quota is exceeded, for example by running a job in your home, the job will simply die.

For those with a muskoka account:

First, copy over the .cshrc, .tcshrc, and .alias files from your muskoka account to your home directory on the TACC machines to have the environment set up as on muskoka. BUT, the .cshrc file should be renamed .cshrc_user to work with the systems at TACC. Do not overwrite your .cshrc file on lonestar.

The files can be moved using the scp command:

scp username@muskoka.cm.utexas.edu:file target

where path is the path to the files you are copying. For example, on lonestar use:

scp muskoka.cm.utexas.edu:.cshrc ~/.cshrc_user
scp muskoka.cm.utexas.edu:.tcshrc ~/.tcshrc
scp muskoka.cm.utexas.edu:.alias ~/.alias 

Create a bin/ directory in your home directory and grab the required scripts from CVS. This should make all the muskoka commands work on the TACC machines as well as the other scripts in the directories:

mkdir ~/bin
cd bin
cvs checkout vtstscripts
cvs checkout bader

On Champion, we are not allowed to run cron jobs, but we can still reset the times on our work files so they are not lost by the two week limit. This can be done with a cronjob on theory, which runs a remote command on champion.

On theory, type "crontab -e". A vi window should appear. Press "i" to insert text and type:

0 0 * * 1 ssh champion.tacc.utexas.edu "find /gpfs/utexas/ch/graeme/ -exec touch {} \;"
10 0 * * * ssh champion.tacc.utexas.edu "find /gpfs/utexas/ch/graeme/ -exec chmod g+rX {} \;"

where username is your username. They press the Esc key, and type :wq.

You will need to have your accounts set up so that you can automatically log into champion from theory without typing your password. You can do this by adding your public key on theory ~/.ssh/id_rsa.pub to your ~/.ssh/authorized_keys file on champion. If, for whatever reason the the ~/.ssh/id_rsa.pub file on theory does not exist, you may easily create one by typing the command,

ssh-keygen -t rsa

from any directory to generate it.