Kutu

Kutu, куту, is the Kyrgyz word for "box". Here we store all the container images of the open-source simulators supported by the Inductiva API, which allows users to easily run physical simulations on the cloud.

These containers are inspired by many others available online. Moving forward, these containers will take into consideration high-performance computing environments (HPC), platform versatility and be as lightweight as possible.

Getting Started

Currently, our container images follow the Dockerfile standards, which are compatible with other platforms like Apptainer.

Each simulator provided has at least one container image. Depending on the version of the simulator, more than one container image may be available.

To use one of the containers to run simulations, you need to build them locally. For example, we can build GROMACS as follows:

docker build -f simulators/gromacs/Dockerfile -t gromacs-image .

Then, you can run the container with the following command:

docker run -it gromacs-image

This will allow the isolation of the simulation environment from the host machine.

Additionally, all our Docker images are available in our Docker Hub repository. You can pull any image directly from there without needing to build it locally. For instance, to pull the GROMACS image, you can use:

docker pull inductiva/kutu:gromacs_v2022.2