Basics

Use the work file system and not your home directory for your calculations. Create a working directory using your username.

cd /beegfs/work/
mkdir <username>
cd <username>

Do not use the login nodes to carry out any calculations or heavy load file transfers.

Check the Queue

To check all running and queued jobs.

qstat

Just your own jobs.

qstat -u <username>

To start a 1 core job on a compute node providing a remote shell.

qsub -q short -l nodes=1:ppn=1 -I

The same but requesting the whole node.

qsub -q short -l nodes=1:ppn=28 -I

Standard Unix commands are directly available, for everything else use the modules.

module avail

Just an example

module load chem/gromacs/4.6.7-gnu-4.9
g_luck

Be aware that we allow node sharing. Do not disturb the calculations of other users.