idmtools-platform-container 0.0.3

Container platform for IDM-Tools

Idmtools platform container

Table of Contents

• Introduction
  • Pre-requisites
  • Installation
  • Examples for container platform
    • Initialize platform
    • Container Examples
    • Check result with CLI commands
    • Check result files
    • Folder structure
  • Basic CLI commands
    • List running jobs
    • Check status
    • Cancel job
    • View Experiments history
  • Note

Introduction

ContainerPlatform is a platform designed to facilitate the execution of experiments and simulations within Docker containers. It provides a robust environment with all necessary tools and dependencies installed, allowing for seamless integration and execution of computational tasks.

Pre-requisites

• Python 3.8/3.9/3.10/3.11/3.12 x64-bit
• OS:
  • Windows 10 Pro or Enterprise
  • Linux
  • macOS (10.15 Catalina or later)
• Docker or Docker Desktop(required for the container platform) On Windows, please use Docker Desktop 4.0.0 or later
• Mac user: Only support Intel based x86_64 architecture if you want to run emodpy related disease models on Docker container platform. Apple based ARM architecture currently is not supported.

Installation

• Install python

  Ensure you have Python 3.8+ installed on your system.

• Create and activate a virtual environment:

  python -m venv venv
  source venv/bin/activate  # On macOS/Linux
  venv\Scripts\activate     # On Windows
  

• Install all container platform related packages

  pip install idmtools[container] --index-url=https://packages.idmod.org/api/pypi/pypi-production/simple
  

• Optional: Install all idmtools packages

  pip install idmtools[full] --index-url=https://packages.idmod.org/api/pypi/pypi-production/simple
  

• To override existing idmtools container related packages after installing emodpy, run this command

  pip install idmtools[container] --index-url=https://packages.idmod.org/api/pypi/pypi-production/simple --force-reinstall --no-cache-dir --upgrade
  

  Mac user: You map need to escape the square brackets with a backslash like \[container\] or \[full\] in above command.

• Extra steps for Windows user:

  • Enable Developer Mode on Windows

    If you are running the script on Windows, you need to enable Developer Mode. To enable Developer Mode, go to Settings -> Update & Security -> For developers and select Developer Mode on, or refer to this guide.

  • Enable long file path for Windows

    Due to the file/folder structure design outlined in the section below, if running the script on Windows, be aware of the file path length limitation (less than 255 characters).

    To allow longer file paths, you can enable Long Path Support in the Windows Group Policy Editor. Refer to this guide for detailed instructions.

Examples for container platform

Initialize platform

• This is the example using Container Platform

  from idmtools.core.platform_factory import Platform
  platform = Platform('CONTAINER', job_directory='<user job directory>')
  

• To trigger MPI, use ntasks >=2:

  from idmtools.core.platform_factory import Platform
  platform = Platform('CONTAINER', job_directory='<user job directory>', ntasks=2)
  

• More options for container platform initialization: refer to ContainerPlatform attributes

Container Examples

• idmtools examples: https://github.com/InstituteforDiseaseModeling/idmtools/tree/main/examples/platform_container
• emodpy-malaria examples: https://github.com/EMOD-Hub/emodpy-malaria/tree/main/examples-container

Check result with CLI commands

idmtools container status <experiment id>

Check result files

- on host: `<job_directory>/<suite_path>/<experiment_path>/<simulation_path>/`
- in container: `/home/container-data/<suite_path>/<experiment_path>/<simulation_path>/`

Folder structure

By default, idmtools now generates simulations with the following structure: job_directory/s_<suite_name>_<suite_uuid>/e_<experiment_name>_<experiment_uuid>/simulation_uuid

• job_directory — The base directory that contains all suite, experiment, and simulation folders.
• s_<suite_name>_<suite_uuid> — The suite directory, where the suite name (truncated to a maximum of 30 characters) is prefixed with s_, followed by its unique suite UUID.
• e_<experiment_name>_<experiment_uuid> — The experiment directory, where the experiment name (also truncated to 30 characters) is prefixed with e_, followed by its unique experiment UUID.
• simulation_uuid — The simulation folder identified only by its UUID.

Suite is optional. If the user does not specify a suite, the folder will be: job_directory/e_<experiment_name>_<experiment_uuid>/simulation_uuid

Examples:

If you create a suite named: my_very_long_suite_name_for_malaria_experiment

and an experiment named: test_experiment_with_calibration_phase idmtools will automatically truncate both names to a maximum of 30 characters and apply the prefixes s_ for suites and e_ for experiments, resulting in a path like:

job_directory/
└── s_my_very_long_suite_name_for_m_12345678-9abc-def0-1234-56789abcdef0/
    └── e_test_experiment_with_calibrati_abcd1234-5678-90ef-abcd-1234567890ef/
        └── 7c9e6679-7425-40de-944b-e07fc1f90ae7/

Or for no suite case:

job_directory/
└── e_test_experiment_with_calibrati_abcd1234-5678-90ef-abcd-1234567890ef/
    └── 7c9e6679-7425-40de-944b-e07fc1f90ae7/

Users can customize this structure through the idmtools.ini configuration file:

• name_directory = False — Excludes the suite and experiment names (and their prefixes) from the simulation path.
• sim_name_directory = True — Includes the simulation name in the simulation folder path when name_directory = True.

Basic CLI commands

ContainerPlatform provides several CLI commands to manage and monitor experiments and simulations. Below are some basic commands:

List running jobs

To list running experiment or simulation jobs:

idmtools container jobs [<container-id>] [-l <limit>] [-n <next>]

Check status

To check the status of an experiment or simulation:

idmtools container status <item-id> [-c <container_id>] [-l <limit>] [--verbose/--no-verbose]

Cancel job

To cancel an experiment or simulation job:

idmtools container cancel <item-id> [-c <container_id>]

View Experiments history

To view experiments history:

idmtools container history [<container-id>] [-l <limit>] [-n <next>]

Note

• WorkItem is not supported on the Container Platform as it is not needed in most cases since the code already runs on user's local computer.
• AssetCollection creation or referencing to an existing AssetCollection are not supported on the Container Platform with current release. If you've used the COMPS Platform, you may have scripts using these objects. You would need to update these scripts without using these objects in order to run them on the Container Platform.
• Run with Singularity is not needed with Container Platform. If you take existing COMPS example and try to run it with Container Platform, you may need to remove the code that setups the singularity image.