BinAC/Quickstart Guide: Difference between revisions
< BinAC
Jump to navigation
Jump to search
(Created page with "= Basics = Use the work file system and not your home directory for your calculations. Create a working directory using your username. <source lang="bash"> cd /beegfs/work/ mk...") |
(No difference)
|
Revision as of 11:36, 8 February 2017
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>
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.