This is the easiest way to get NextGenPB running on your computer.

Quick Start Options

🏃 Very Impatient? Use a Precompiled Apptainer Image

If you’re eager to run simulations without compiling anything, use the ready-made .sif container image.

Prerequisite

• Install Apptainer (formerly Singularity):
  https://apptainer.org/docs/

Download the image

You can download the generic image using the following command:

wget https://github.com/concept-lab/NextGenPB/releases/download/NextGenPB_v1.0.0/NextGenPB.sif

If you know the architecture of the machine where the container will run, you can download the image built specifically for that architecture. See the Downloads page for available versions.

➡️ Go to Running NextGenPB for execution details using the container.

🚶‍♂️ Prefer Customization? Build the Docker or Apptainer Image Yourself

This option is for advanced users who want to customize compiler flags, link libraries differently, or tweak performance settings.

Tune the settings

If you are building the image on your machine, you can tune the installation by uncommenting the relevant line in recipe.def (for Apptainer) or in the Dockerfile:

# export CFLAGS="-O3 -mtune=native -march=native"

Build the Docker image (if root access available)

sudo docker build -f Dockerfile -t <name_of_image>:latest .

To run the Docker image:

sudo docker run -v "$(pwd)":/App -w /App <name_of_image>:latest mpirun -np <number_of_processors> ngpb --prmfile options.prm

Build the Apptainer image (if root access available)

sudo apptainer build NextGenPB.sif recipe.def

To run the Apptainer image:

 apptainer exec --pwd /App --bind /path/to/files/:/App  /path/to/sif/NextGenPB.sif mpirun -np <number_of_processors> ngpb --prmfile options.prm

➡️ See the Running NextGenPB guide for execution details using the container.

Customize compiling flags to performance

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✅ You’re now ready to run simulations with NextGenPB!

➡️ Go to running section to learn out to run the solver.