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Apptainer usage

Apptainer usage

 

Overview

Apptainer and Singularity refer to the same container technology, with Apptainer being the current branding. Apptainer binaries are available on all compute nodes. You can use a login node to execute the following instructions, which will start the container on a compute node.

Steps

Step 1: Identify the Apptainer Image for Use

To display all available images, you can use the following command from any Sol node:

$ showsimg Available Images: afni-22.2.12.sif megahit-1.2.9.sif alphafold.sif metaphage.sif aspect.sif metaphage-v2.sif aspect-tester.sif neo4j_4.4.27-community.sif beast-1.10.4.sif nfcore-eager-2.4.7.sif carla-0.9.15.sif nfcore-eager-2.5.0.sif carla_latest.sif nvhpl.sif centos-6.sif parabricks-4.0.sif centos-7.9.sif pecube-d.sif centos-8.sif persvade_v1.02.6.sif clara-parabricks_4.1.0-1.sif polysolver.sif debian-11.3.sif polysolver-singularity_v4.sif deepvariant_1.5.0-gpu.sif python deepvariant_1.5.0.sif qe-7.1.sif ensembl-vep-108.2.sif qsiprep.sif ensembl-vep.sif rhel-8.sif flexbar-3.5.0.sif rhel-9.sif fmriprep.sif spy gamess_17.09.sif spython.sif gemBS stablediffusion_automatic1111.sif gemBS.sif tensorflow_latest-gpu.sif google_colab.sif ubuntu-22.04.sif gromacs_2022.3.sif vep.sif irods-icommands.sif yade-2023.02a.sif llm.sif Syntax: $ SIMG=ubuntu-22.04 classic-interactive $

Step 2: Launch the Apptainer Container and Enter a Terminal Prompt

To launch one of the images onto a compute node for interactive work you can do the following, as described at the bottom of the previous output:

SIMG=ubuntu-22.04 classic-interactive

Of course, depending on the application you are interested in, you will want to change the image and interactive parameters to suit your workflow, for example:

$ SIMG=fmriprep.sif classic-interactive -c 4 $ SIMG=tensorflow_latest-gpu.sif classic-interactive --gres=gpu:a100:4

Step 3: Using the Container Image

Once your job has been allocated resources, you will be presented with a new prompt, indicating you are inside the container:

As the above output shows, though your terminal prompt is different, your user remains the same as your logged-in ASURITE. This means the applications (which are still inside the container) can read, write, and modify files within your Sol $HOME and scratch directories. Only files saved to these locations will be kept when you leave the container.

For additional examples of using Apptainer containers:

Parabricks

Gromacs

GAMESS 17

Additional Help

 

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