Important: Most software will only consume 1 CPU core - e.g., requesting 8 CPU cores for a PAUP job blocks other people using the unused 7 CPU cores. Most HPC users will have scripts similar to Example 1 below.Example 1 below would likely be the most users should be basing their job scripts from. If in doubt, contact HPRC staff.
For more information about PBSPro please click to see guide. For a brief description of PBS directives provided in examples below, see the "Brief Explanation of PBS directive used in examples above" section immediately following the final example PBS script.
HPC staff should be able to assist researchers needing help with PBS scripts.
The following PBS script requests 1 CPU core, 2GB of memory, and 24 hours of walltime
#!/bin/bash #PBS -j oe #PBS -m ae #PBS -N JobName1 #PBS -M FIRSTNAME.LASTNAME@jcu.edu.au #PBS -l walltime=24:00:00 #PBS -l select=1:ncpus=1:mem=2gb cd $PBS_O_WORKDIR shopt -s expand_aliases source /etc/profile.d/modules.sh echo "Job identifier is $PBS_JOBID" echo "Working directory is $PBS_O_WORKDIR" module load R/4.1.2 R ... # Replace ... with your arguments & options.
The following script is a rework of Example 2 to use the
/fast/tmp filesystem for a hyperthetical workflow that is I/O intensive. This example assumes 1 output file per job.
Usage of /fast/tmp
Please make sure you first create an place all files in a folder that matches your jc number eg: jcXXXXXXXX
#!/bin/bash #PBS -j oe #PBS -m ae #PBS -N JobName2 #PBS -M FIRSTNAME.LASTNAME@my.jcu.edu.au #PBS -l walltime=3:00:00 #PBS -l select=1:ncpus=8:mem=32gb cd $PBS_O_WORKDIR shopt -s expand_aliases source /etc/profile.d/modules.sh echo "Job identifier is $PBS_JOBID" echo "Working directory is $PBS_O_WORKDIR" mkdir -p /fast/tmp/jc012345/myjobs cp -a myjob1.m myjob2.m myjob3.m myjob4.m myjob5.m myjob6.m myjob7.m myjob8.m /fast/tmp/jc012345/myjobs/ pushd /fast/tmp/jc012345/myjobs module load matlab matlab -r myjob1 & matlab -r myjob2 & matlab -r myjob3 & matlab -r myjob4 & matlab -r myjob5 & matlab -r myjob6 & matlab -r myjob7 & matlab -r myjob8 & wait # Wait for background jobs to finish. cp -a out1.mat out2.mat out3.mat out4.mat out5.mat out6.mat out7.mat out8.mat $PBS_O_WORKDIR/ popd rm -rf /fast/tmp/jc012345/myjobs
Consider the possibility that you may be running more than one workflow at any given time. Using subdirectories is a good way of segregating workflows (at a storage layer).
Brief Explanation of PBS directive used in examples above
|Directive||Description of impact|
|Merge STDOUT & STDERR streams into a single file|
|Send an Email upon job abort/exit.|
|Assign a meaningful name to the job (replace |
|Email address that PBSPro will use to provide job information (if desired)|
|Amount of clock time that your job is likely to required.|
|Request 1 chunk of "X CPU cores" & "Y GB of RAM".|
The "select=1:" is not really required as it is the default.
Due to JCU cluster size, requests for more than 1 chunk should/will be rejected.
Brief Details on some extra PBS/Torque directives
Description of purpose
Sets the working directory for you job to <PATH>.
Explicit specification of file that will hold the standard output stream from you job.
Export environment variables to the batch job
For full details on directives that can be used, use "
man qsub" on a HPC login node or look at online documentation for Torque.
The following variables can be useful within your PBS job script. Some are present in the examples above.
Job name specified by the user
Working directory from which the job was submitted
Home directory of user submitting the job
Name of user submitting the job
Unique PBS job id
Host on which job script is running
Name of the job queue
File containing line delimited list on nodes allocated to the job (may be required for MPI jobs).
Path variable used to locate executables within the job script
Example CPU+Memory Resource Requests