BinAC/Quickstart Guide
< BinAC
1 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.
2 Check the Queue
To check all running and queued jobs.
qstat
Just your own jobs.
qstat -u <username>
3 Simple Interactive Job
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.