Create a small tutorial on how to run the experiments on NUS machines

#!/bin/bash

#PBS -P Project_Name_of_Job
#PBS -q parallel20
#PBS -l select=1:ncpus=20:mpiprocs=20:mem=90GB
### You can increase mem request if your job needs more mem to run.
#PBS -j oe
#PBS -N Job_Name
###  -N Job_Name: set filename for standard output/error message.

cd $PBS_O_WORKDIR;   ## This line is needed, do not modify.

##--- Put your exec/application commands below ---
##--- For example:
source /etc/profile.d/rec_modules.sh
####module load ;  module list

conda activate /hpctmp/quantumwuongo/envs/sage310
### np=$( cat ${PBS_NODEFILE} |wc -l );  ### get number of CPUs
#conda activate /hpctmp/quantumwuongo/envs/sage310/

for i in {58..80}
do
  echo "[Bashozzo]: Working with $i"
  mkdir -p /hpctmp/quantumwuongo/data/representations/$i
  #python3 irrep.py 2 $i
  conda run -p /hpctmp/quantumwuongo/envs/sage310/ python3 /home/svu/cqtales/generate_irreps/irrep.py 2 $i
done

Scinawa / QASMoleS

Create a small tutorial on how to run the experiments on NUS machines #2