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#!/bin/bash
#PBS -N Sample_PBS_Job
#PBS -l select=1:ncpus=1:mem=1gb
#PBS -l walltime=00:01:00
#PBS -q standard
#PBS -W group_list=<group_name>



cd $PBS_O_WORKDIR
pwd; hostname; date

module load python
python --version

#!/bin/bash
#SBATCH --job-name=Sample_Slurm_Job
#SBATCH --ntasks=1
#SBATCH --nodes=1              
#SBATCH --mem=1gb                     
#SBATCH --time=00:01:00    
#SBATCH --partition=standard
#SBATCH --account=<group_name>    

# SLURM Inherits your environment. cd $SLURM_SUBMIT_DIR not needed
pwd; hostname; date

module load python/3.6
python3 --version

#!/bin/bash
#PBS -N Sample_PBS_Job
#PBS -l select=1:ncpus=1:mem=1gb
#PBS -l walltime=00:01:00
#PBS -q standard
#PBS -W group_list=<group_name>
#PBS -J 1-5



cd $PBS_O_WORKDIR
pwd; hostname; date

echo "./sample_command input_file_${PBS_ARRAY_INDEX}.in"
 

#!/bin/bash
#SBATCH --output=Sample_SLURM_Job-%a.out
#SBATCH --ntasks=1
#SBATCH --nodes=1              
#SBATCH --mem=1gb                     
#SBATCH --time=00:01:00    
#SBATCH --partition=standard
#SBATCH --account=<group_name>    
#SBATCH --array 1-5

# SLURM Inherits your environment. cd $SLURM_SUBMIT_DIR not needed
pwd; hostname; date

echo "./sample_command input_file_${SLURM_ARRAY_TASK_ID}.in"

#!/bin/bash
#PBS -N Sample_MPI_Job
#PBS -l select=1:ncpus=16:mem=16gb
#PBS -l walltime=00:10:00
#PBS -W group_list=<group_name>
#PBS -q standard






cd $PBS_O_WORKDIR
pwd; hostname; date
module load openmpi   
/usr/bin/time -o mpit_prog.timing mpirun -np 16 a.out

#!/bin/bash
#SBATCH --job-name=Sample_MPI_Job
#SBATCH --ntasks=16
#SBATCH --ntasks-per-node=16
#SBATCH --nodes=1
#SBATCH --mem-per-cpu=1gb
#SBATCH --time=00:10:00
#SBATCH --account=<group_name>
#SBATCH --partition=standard
#SBATCH --output=Sample_MPI_Job_%A.out
#SBATCH --error=Sample_MPI_Job_%A.err

# SLURM Inherits your environment. cd $SLURM_SUBMIT_DIR not needed
pwd; hostname; date
module load openmpi3
/usr/bin/time -o mpit_prog.timing mpirun -np 16 a.out