The project is composed of multiple folders to separate code, data and jobs. Each of the folders can contain sub-folders to categorize internal files from each other.
The main structure of the project is divided into:

The project supports local execution as well as execution on the DAS-5. Different supercomputers or clusters that use the SLURM workload manager might also be compatible, but there are no guarantees. All the code is written with Python 3 in mind, so make sure that is the version you are using.

Installing the necessary packages for a local setup is different than installing the packages on the DAS-5. Thus both are described in their own section below.

In order to install all packages locally, one can choose to create a virtual environment to keep everything separate from other environments. When in the desired environment, install all required packages with pip3:

pip3 install -r requirements.txt

The project makes use of mpi4py package, which relies on the MPI header files. If come across an error loading the MPI header files, please make sure that the libopenmpi-dev is installed on your system. Or install the header files simply with:

sudo apt install libopenmpi-dev

When installing the packages on the DAS-5, make sure that the Python 3.6.0 and Intel MPI modules are loaded:

module load python/3.6.0
module load intel-mpi/64/5.1.2/150

Then install all required packages in userspace with pip3:

pip3 install --user -r requirements.txt

It is also possible to partition datasets on the DAS-5. The system uses the KaHIP partitioner, which can easily be installed with: ./manage.sh get_KaHIP followed by ./manage.sh build_KaHIP.

Multiple steps are required before simulations can be tested. This section will give a quick overview of what steps to take for getting your first results.

1. Add the requested dataset to the array in ./manage.sh
2. Fetch the datasets via: ./manage get_data
3. Extract the datasets via: ./manage extract_data
4. Create a job via: ./manage create_job <variables>
5. Partition the dataset according to the job (when on the DAS-5) via: ./manage.sh create_partitions <variables>
6. Run the job via: ./manage.sh run_job <variables>
7. Compute resulting properties via: ./manage.sh compute_properties <variables>

The sections below will explain each step in more detail.

In order to add the requested dataset to the list of available datasets, open manage.sh and add the dataset name to the DATASETS array in the top of the file. All datasets are fetched from the Graphalytics website, so you will only need to enter the name of a dataset from this website.

After the datasets are added, the zip can be downloaded via:

./manage.sh get_data

and extracted via:

./manage.sh extract_data

A job can easily be created via the manage.sh script. This is done with the create_job command, which needs multiple extra arguments:

./manage.sh create_job <job_name> <simulation_name> <scale_factor> \
    <dataset_name> <number_of_nodes> <time_in_minutes> <do_stitch> \
    <ring_stitch> <connectivity>

Here is a quick overview of what are possible values for these variables:

The create_job script checks the validity of all these variables and gives errors accordingly. The script only checks whether the dataset name is provided and not if the dataset is present on the machine. This because jobs could be created locally while the dataset is only downloaded on the DAS-5.

If all tests are passed with no errors, a new job folder is created containing a default SLURM script. The default script is composed of a header and a body. The header contains:

#!/usr/bin/env bash
#SBATCH -J <job_name>
#SBATCH -o jobs/<job_name>/<job_name>.out
#SBATCH --partition=defq
#SBATCH -n <number_of_nodes>
#SBATCH -N <number_of_nodes>
#SBATCH -t <time_in_minutes>
SIMPATH="code/simulations/"
SIMFILE="<simulation_name>"
DATASET="<dataset_name>"
JOBNAME="<job_name>"
SCALE="<scale_factor>"
DO_STITCH="<do_stitch>"
RING_STITCH="<ring_stitch>"
CONN="<connectivity>"

As you can see, the default script header contains placeholder lines for specifying some SLURM variables. These are:

• -J for the name of the job that will be shown in the queue
• -o for the output path of the .out file from the SBATCH script
• -n for the number of tasks that will be spawned. This system uses one task per node, so this value is equal to the number of nodes.
• -N for the number of machines you want to use for the tasks
• -t for the time after which the job is shutdown by DAS-5.

--parition=defq makes sure that all reserved nodes are in one cluster. Beneath the SLURM commands, there is a short list of variables that were specified during the create_job process. The default body uses these variables to make every simulation runs on the DAS-5 in its own environment. The body of the default script contains:

# Check if the dataset is partitioned correctly for the requested job.
COMP_NODES=$(( SLURM_NTASKS - 1 ))
if [ ! -d "${PWD}/data/${DATASET}/${DATASET}-${COMP_NODES}-partitions" ]; then
    echo "Dataset '${DATASET}' is not partitioned for ${COMP_NODES} Compute Nodes."
    exit 1
fi

# Load modules.
module load python/3.6.0
module load intel-mpi/64/5.1.2/150

# Define paths for the job to work with.
RUNDIR="/var/scratch/${USER}/${JOBNAME}"
TMP_DATA="${RUNDIR}/data"
TMP_RES="${RUNDIR}/results"
TMP_PLAY="${RUNDIR}/playground"

# Create directories for the playground, data and results on the TMP partition.
mkdir -p "${RUNDIR}"
mkdir -p "${TMP_DATA}"
mkdir -p "${TMP_RES}"
mkdir -p "${TMP_PLAY}"

# Copy Vertex and Partitions data to TMP partition.
mkdir -p "${TMP_DATA}/${DATASET}/"
cp "${PWD}/data/${DATASET}/${DATASET}.v" -t "${TMP_DATA}/${DATASET}/"
cp -r "${PWD}/data/${DATASET}/${DATASET}-${COMP_NODES}-partitions/" \
    -t "${TMP_DATA}/${DATASET}/"

#  Copy existing results to TMP partition.
cp -r "${PWD}/jobs/${JOBNAME}/results/." -t "${TMP_RES}/."

# Run simulation.
srun -n "${SLURM_NTASKS}" --mpi=pmi2 python3 "code/run_simulation.py" \
    "${SIMPATH}${SIMFILE}" "${SCALE}" "${DATASET}" "${DO_STITCH}" \
    "${RING_STITCH}" "${CONN}" "${TMP_PLAY}" "${TMP_DATA}" "${TMP_RES}"

# Compute properties of the resulting graph and copy those to HOME partition.
./manage.sh compute_properties "${JOBNAME}"
cp "${TMP_RES}/scaled_graph_properties.json" -t "${PWD}/jobs/${JOBNAME}/results/."

First, the job checks if the dataset is partitioned correctly for the use of this job. The number of partitions should be equal to the number of nodes minus one, as one node is used as the head node during execution.

Second, the Python and MPI modules are loaded, which are needed for working with mpi4py. When running a job on the DAS-5, all work is done on a SCRATCH partition, which is mounted under /var/scratch/$USER/. After the modules are loaded, three folders are created within a folder that is used solely by the job. The folders are:

• /data for storing all .v and .e files from the specified dataset.
• /results for storing the simulation's results.
• /playground for saving temporary files during execution.

After these directories are created, the data files and any existing results on the HOME partition are copied over. Then the simulation is executed. In order to run a program on multiple nodes, the srun command is used. This command utilizes the variables set within the header of the script. When the job is done, the statistics are computed and copied to the results folder on the HOME partition.

Partitions can easily be created using the manage.sh via:

./manage.sh create_partitions <dataset> <number_of_partitions>

The <dataset> variable takes the name of a dataset that needs to be partitioned. The <number_of_partitions> variable is the number of partitions that are created in the end. Note that this has to be equal to the number of compute nodes used by the created job.

In order to run the create_partitions script, the KaHIP partioning algorithm needs to be installed. The code for KaHIP can be fetched via:

./manage.sh get_KaHIP

and build via:

./manage.sh build_KaHIP

A job can be run locally or on the DAS-5. Both execute a previously created job file that is located in the jobs folder. The execution is triggered by the manage.sh script. This is done with the run_job command for running on the DAS-5 or run_local for running locally. Both commands need the job name as the second argument:

./manage.sh run_job <job_name>

The script checks if the specified job exists and gives an error if this is not the case. Otherwise, the specified job is executed. If the job is executed on the DAS-5, it is placed in the job queue.

Your current queued jobs can be listed with:

squeue -u $USER

The whole queue is presented if the -u $USER flag is not provided.

The simulations result in a scaled graph, which is represented by the scaled_graph.v and scaled_graph.e files in the results folder. These files are used as input when computing properties of the resulting graph. This is done via the compute_properties command of the manage.sh script. The command takes paths to the two files as arguments:

./manage.sh compute_properties <path_to_v_file> <path_to_e_file>

The output of the properties script are the properties stored in JSON format. This file is called scaled_graph_properties.json and is stored in the same directory as the vertex and edge files are located.