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2025UB-Data Science HPC

The content of this folder was tested on Feb 2023 on the purpose to fulfill the HPC best practices Hands-on for the Ciencia de los Datos (Data Science), Aplicaciones en Biología y Medicina con Python y R UB IL-3 course

List of command to run the hands-on

Access CSUC and transfer files

Check the docu

CSUC HPC Portal

How to login

Your username is curs$NUM and your initial password will be provided online.

Check the docu: How to connect to Pirineus III

NUM=[1..23].

At the first access you have set a new password with the following rules:

  • 8 characters
  • 1 upper case
  • 1 lower case
  • 1 number
  • 1 special character
CSUC_USER=curs<INSERT YOUR NUM HERE>
ssh -p2122 [email protected]
  1. Insert the temporary password.
  2. Insert the new password - remember it!!!
  3. Insert again the new password.

How to move data

git clone https://github.com/kErica/UB-DataScience.git

scp -rp -P 2122 UB-DataScience-master [email protected]:/home/curs<insert number here>

## or
cd UB-DataScience
sftp –oPort=2122 [email protected]
mput -R *

Then ssh to the system

ssh -p2122 [email protected]

Explore the environment

pwd
df -h
ls
ls -ld .
ls -l /

SLURM basic commands

sacct	## Displays accounting data for all jobs.
salloc	## Allocate resources for interactive use.
sbatch	## Submit a job script to a queue
scancel	## Signal jobs or job steps that are under the control of SLURM (cancel jobs or job steps)
scontrol	## View SLURM configuration and state
sinfo	## View information about SLURM nodes and partitions
sjstat	## Display statistics of jobs ( data from sinfo, squeue and scontrol).
smap	## Graphically view information about SLURM jobs, partitions, and set config. param
squeue	## View information about jobs located in the SLURM scheduling queue.
srun	## Run a parallel job

How to initiate an interactive session

NOTE: This is not going to work as your user cannot allocate resources.

salloc -t 0-01:00 -n 4

NOTE: You can open a second terminal and have a current view of your queue jobs. watch squeue -u $USER

Launch a serial job

cd UB-DataScience-master/01-Serial
sbatch serial.sh
## check your jobs and outputs
ls -lthr

Launch an array of jobs

sbatch --array=0-9 serial-array.sh

Launch an OpenMP job

cd ../02-OpenMP
ls
sbatch openmp.sh
cat hello.log

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Material for the Master I did - to keep the 2023UB repo clean for the workshop

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