From fb12fca682905c614f90ab208448f615283a50ca Mon Sep 17 00:00:00 2001 From: Matteo Bunino <48362942+matbun@users.noreply.github.com> Date: Mon, 29 Apr 2024 22:05:53 +0200 Subject: [PATCH 1/3] Docs dev (#132) * commiting docs functionality for testing deployment * adding documentation deployment relevant files * updating readthedocs.yaml * changing directory of requirements.txt * updating reqs file * commiting changes and adding pages for tutorials * fixed distributed trainer in cyclones use case * adding installation instructions in docs * adding latest changes to docs * adding new pages for itwinai modules and other modifications * modified src/itwinai/torch directory name to solve namespace conflict * fixing tutorial sections * fixes in pages appearance * fixing rendering bugs * fixing pages appearance bugs * adding latest modifications * Deleted duplicate folder after renaming src/itwinai/torch * adding documentation.yml file for automatic updating on github pages * modifying documentation.yml file * updating reqs file to solve bug in deployment * commiting docs functionality for testing deployment * adding documentation deployment relevant files * updating readthedocs.yaml * changing directory of requirements.txt * updating reqs file * commiting changes and adding pages for tutorials * adding installation instructions in docs * adding latest changes to docs * adding new pages for itwinai modules and other modifications * modified src/itwinai/torch directory name to solve namespace conflict * fixing tutorial sections * fixes in pages appearance * fixing rendering bugs * fixing pages appearance bugs * adding latest modifications * Deleted duplicate folder after renaming src/itwinai/torch * adding documentation.yml file for automatic updating on github pages * modifying documentation.yml file * updating reqs file to solve bug in deployment * testing automated docs update * updating getting started page * fixing pages and adding new content * bug fixes * fixing content rendering * latest fixes in rendering * Add version feature to docs * Update .readthedocs.yaml * fixing display structure in getting started page * new fixes similar to previous commit * Update index.rst * Update index.rst Text re-edit index * Update index.rst change 1 word * Update .readthedocs.yaml * Update .readthedocs.yaml * fixing getting started page * Text review getting_started_with_itwinai.rst * Update 3dgan_doc.rst * Update getting_started_with_itwinai.rst punctuation * Fix torch naming problem --------- Co-authored-by: KalliopiTsolaki Co-authored-by: zoechbauer1 Co-authored-by: VerderK <167095399+VerderK@users.noreply.github.com> --- .github/workflows/documentation.yml | 38 ++ .readthedocs.yaml | 32 ++ docs/.gitignore | 10 - docs/3dgan_doc.rst | 124 ++++ docs/404.html | 12 - docs/Gemfile | 7 - docs/Gemfile.lock | 79 --- docs/LICENSE | 21 - docs/Makefile | 20 + docs/README.md | 181 ------ docs/_config.yml | 26 - docs/advanced_workflow.rst | 19 + docs/basic_comp.rst | 16 + docs/basic_workflow.rst | 19 + docs/conf.py | 73 +++ docs/docs/CLI.md | 53 -- docs/docs/Concepts.md | 35 -- docs/docs/How-to-use-this-software.md | 540 ------------------ docs/docs/img/Workflow DAG concept.png | Bin 224511 -> 0 bytes docs/docs/img/cwl-workflow.png | Bin 375527 -> 0 bytes .../img/user-platform interaction full.png | Bin 211421 -> 0 bytes docs/docs/img/user-platform interaction.png | Bin 30005 -> 0 bytes docs/docs/use-cases/index.md | 12 - docs/docs/use-cases/mnist.md | 185 ------ docs/favicon.ico | Bin 15406 -> 0 bytes docs/getting_started_with_itwinai.rst | 190 ++++++ docs/hpc_setup.rst | 69 +++ docs/index.md | 64 --- docs/index.rst | 70 +++ docs/intermediate_workflow.rst | 20 + docs/itwinai.cli.rst | 7 + docs/itwinai.cluster.rst | 7 + docs/itwinai.components.rst | 8 + docs/itwinai.loggers.rst | 8 + docs/itwinai.parser.rst | 8 + docs/itwinai.pipeline.rst | 8 + docs/itwinai.serialization.rst | 8 + docs/itwinai.tf.modules.rst | 26 + docs/itwinai.torch.modules.rst | 72 +++ docs/itwinai.types.rst | 8 + docs/itwinai.utils.rst | 8 + docs/local_setup.rst | 210 +++++++ docs/make.bat | 35 ++ docs/mnist_doc.rst | 151 +++++ docs/modules.rst | 23 + docs/requirements.txt | 185 ++++++ docs/tutorials.rst | 19 + docs/use_cases.rst | 32 ++ use-cases/3dgan/__init__.py | 1 + 49 files changed, 1514 insertions(+), 1225 deletions(-) create mode 100644 .github/workflows/documentation.yml create mode 100644 .readthedocs.yaml delete mode 100644 docs/.gitignore create mode 100644 docs/3dgan_doc.rst delete mode 100644 docs/404.html delete mode 100644 docs/Gemfile delete mode 100644 docs/Gemfile.lock delete mode 100644 docs/LICENSE create mode 100644 docs/Makefile delete mode 100644 docs/README.md delete mode 100644 docs/_config.yml create mode 100644 docs/advanced_workflow.rst create mode 100644 docs/basic_comp.rst create mode 100644 docs/basic_workflow.rst create mode 100644 docs/conf.py delete mode 100644 docs/docs/CLI.md delete mode 100644 docs/docs/Concepts.md delete mode 100644 docs/docs/How-to-use-this-software.md delete mode 100644 docs/docs/img/Workflow DAG concept.png delete mode 100644 docs/docs/img/cwl-workflow.png delete mode 100644 docs/docs/img/user-platform interaction full.png delete mode 100644 docs/docs/img/user-platform interaction.png delete mode 100644 docs/docs/use-cases/index.md delete mode 100644 docs/docs/use-cases/mnist.md delete mode 100644 docs/favicon.ico create mode 100644 docs/getting_started_with_itwinai.rst create mode 100644 docs/hpc_setup.rst delete mode 100644 docs/index.md create mode 100644 docs/index.rst create mode 100644 docs/intermediate_workflow.rst create mode 100644 docs/itwinai.cli.rst create mode 100644 docs/itwinai.cluster.rst create mode 100644 docs/itwinai.components.rst create mode 100644 docs/itwinai.loggers.rst create mode 100644 docs/itwinai.parser.rst create mode 100644 docs/itwinai.pipeline.rst create mode 100644 docs/itwinai.serialization.rst create mode 100644 docs/itwinai.tf.modules.rst create mode 100644 docs/itwinai.torch.modules.rst create mode 100644 docs/itwinai.types.rst create mode 100644 docs/itwinai.utils.rst create mode 100644 docs/local_setup.rst create mode 100644 docs/make.bat create mode 100644 docs/mnist_doc.rst create mode 100644 docs/modules.rst create mode 100644 docs/requirements.txt create mode 100644 docs/tutorials.rst create mode 100644 docs/use_cases.rst create mode 100644 use-cases/3dgan/__init__.py diff --git a/.github/workflows/documentation.yml b/.github/workflows/documentation.yml new file mode 100644 index 00000000..aeb26d82 --- /dev/null +++ b/.github/workflows/documentation.yml @@ -0,0 +1,38 @@ +name: Build and Deploy Sphinx Documentation + +# on: +# push: +# branches: +# - docs_dev +# tags: +# - 'v*' + +jobs: + build-and-deploy: + runs-on: ubuntu-latest + + steps: + - uses: actions/checkout@v2 + with: + persist-credentials: false + + - name: Set up Python + uses: actions/setup-python@v2 + with: + python-version: '3.9' + + - name: Install dependencies + run: | + pip install -r docs/requirements.txt + pip install sphinx sphinx-rtd-theme + + - name: Build documentation + run: | + cd docs + make html + + - name: Deploy to GitHub Pages + uses: peaceiris/actions-gh-pages@v3 + with: + github_token: ${{ secrets.GITHUB_TOKEN }} + publish_dir: ./docs/_build/html diff --git a/.readthedocs.yaml b/.readthedocs.yaml new file mode 100644 index 00000000..790af042 --- /dev/null +++ b/.readthedocs.yaml @@ -0,0 +1,32 @@ +# .readthedocs.yaml +# Read the Docs configuration file +# See https://docs.readthedocs.io/en/stable/config-file/v2.html for details + +# Required +version: 2 + +# Set the OS, Python version and other tools you might need +build: + os: ubuntu-22.04 + tools: + python: "3.10" + # You can also specify other tool versions: + # nodejs: "19" + # rust: "1.64" + # golang: "1.19" + +# Build documentation in the "docs/" directory with Sphinx +sphinx: + configuration: docs/conf.py + +# Optionally build your docs in additional formats such as PDF and ePub +# formats: +# - pdf +# - epub + +# Optional but recommended, declare the Python requirements required +# to build your documentation +# See https://docs.readthedocs.io/en/stable/guides/reproducible-builds.html +python: + install: + - requirements: docs/requirements.txt diff --git a/docs/.gitignore b/docs/.gitignore deleted file mode 100644 index f55f6395..00000000 --- a/docs/.gitignore +++ /dev/null @@ -1,10 +0,0 @@ -# Copied from https://github.com/github/gitignore/blob/main/Jekyll.gitignore -# Ignore metadata generated by Jekyll -_site/ -.sass-cache/ -.jekyll-cache/ -.jekyll-metadata - -# Ignore folders generated by Bundler -.bundle/ -vendor/ diff --git a/docs/3dgan_doc.rst b/docs/3dgan_doc.rst new file mode 100644 index 00000000..1b8added --- /dev/null +++ b/docs/3dgan_doc.rst @@ -0,0 +1,124 @@ +3DGAN +===== + +This section covers the CERN use case that utilizes the `torch-lightning` framework for training and evaluation. The following files are integral to this use case: + +itwinai x 3DGAN +--------------- + + +.. toctree:: + :maxdepth: 5 + + +model.py +++++++++ + +.. literalinclude:: ../use-cases/3dgan/model.py + :language: python + + +trainer.py +++++++++++ +.. literalinclude:: ../use-cases/3dgan/trainer.py + :language: python + + +saver.py +++++++++ + +.. literalinclude:: ../use-cases/3dgan/saver.py + :language: python + + +dataloader.py ++++++++++++++ + +.. literalinclude:: ../use-cases/3dgan/dataloader.py + :language: python + + +cern-pipeline.yaml +++++++++++++++++++ + +This YAML file defines the pipeline configuration for the CERN use case. + +.. literalinclude:: ../use-cases/3dgan/cern-pipeline.yaml + :language: yaml + + +inference-pipeline.yaml ++++++++++++++++++++++++ + +This YAML file defines the pipeline configuration for the CERN use case inference. + +.. literalinclude:: ../use-cases/3dgan/inference-pipeline.yaml + :language: yaml + + +Dockerfile +++++++++++ + +.. literalinclude:: ../use-cases/3dgan/Dockerfile + :language: bash + + +pipeline.yaml ++++++++++++++ + +This YAML file defines the pipeline configuration for the CERN use case. It includes settings for the model, training, and evaluation. + +.. literalinclude:: ../use-cases/3dgan/pipeline.yaml + :language: yaml + + + +This section covers the CERN use case integration with `interLink `_ using ``itwinai``. The following files are integral to this use case: + +interLink x 3DGAN +----------------- + +.. toctree:: + :maxdepth: 5 + + +3dgan-inference-cpu.yaml +++++++++++++++++++++++++ + +.. literalinclude:: ../use-cases/3dgan/interLink/3dgan-inference-cpu.yaml + :language: yaml + + +3dgan-inference.yaml +++++++++++++++++++++++++ + +.. literalinclude:: ../use-cases/3dgan/interLink/3dgan-inference.yaml + :language: yaml + + + + +.. .. automodule:: 3dgan.model +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: 3dgan.train +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: 3dgan.trainer +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: 3dgan.saver +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: 3dgan.dataloader +.. :members: +.. :undoc-members: +.. :show-inheritance: diff --git a/docs/404.html b/docs/404.html deleted file mode 100644 index b8547546..00000000 --- a/docs/404.html +++ /dev/null @@ -1,12 +0,0 @@ ---- -layout: default -title: 404 -permalink: /404 -nav_exclude: true -search_exclude: true ---- - -

Page not found

- -

The page you requested could not be found. Try using the navigation {% if site.search_enabled != false %}or search {% - endif %}to find what you're looking for or go to this site's home page.

\ No newline at end of file diff --git a/docs/Gemfile b/docs/Gemfile deleted file mode 100644 index 387154f8..00000000 --- a/docs/Gemfile +++ /dev/null @@ -1,7 +0,0 @@ -source 'https://rubygems.org' - -gem "jekyll", "~> 4.3" # installed by `gem jekyll` -# gem "webrick" # required when using Ruby >= 3 and Jekyll <= 4.2.2 - -gem "just-the-docs", "0.5.0" # pinned to the current release -# gem "just-the-docs" # always download the latest release diff --git a/docs/Gemfile.lock b/docs/Gemfile.lock deleted file mode 100644 index 81efc419..00000000 --- a/docs/Gemfile.lock +++ /dev/null @@ -1,79 +0,0 @@ -GEM - remote: https://rubygems.org/ - specs: - addressable (2.8.1) - public_suffix (>= 2.0.2, < 6.0) - colorator (1.1.0) - concurrent-ruby (1.1.10) - em-websocket (0.5.3) - eventmachine (>= 0.12.9) - http_parser.rb (~> 0) - eventmachine (1.2.7) - ffi (1.15.5) - forwardable-extended (2.6.0) - http_parser.rb (0.8.0) - i18n (1.12.0) - concurrent-ruby (~> 1.0) - jekyll (4.3.0) - addressable (~> 2.4) - colorator (~> 1.0) - em-websocket (~> 0.5) - i18n (~> 1.0) - jekyll-sass-converter (>= 2.0, < 4.0) - jekyll-watch (~> 2.0) - kramdown (~> 2.3, >= 2.3.1) - kramdown-parser-gfm (~> 1.0) - liquid (~> 4.0) - mercenary (>= 0.3.6, < 0.5) - pathutil (~> 0.9) - rouge (>= 3.0, < 5.0) - safe_yaml (~> 1.0) - terminal-table (>= 1.8, < 4.0) - webrick (~> 1.7) - jekyll-sass-converter (2.2.0) - sassc (> 2.0.1, < 3.0) - jekyll-seo-tag (2.8.0) - jekyll (>= 3.8, < 5.0) - jekyll-watch (2.2.1) - listen (~> 3.0) - just-the-docs (0.5.0) - jekyll (>= 3.8.5) - jekyll-seo-tag (>= 2.0) - rake (>= 12.3.1) - kramdown (2.4.0) - rexml - kramdown-parser-gfm (1.1.0) - kramdown (~> 2.0) - liquid (4.0.3) - listen (3.7.1) - rb-fsevent (~> 0.10, >= 0.10.3) - rb-inotify (~> 0.9, >= 0.9.10) - mercenary (0.4.0) - pathutil (0.16.2) - forwardable-extended (~> 2.6) - public_suffix (5.0.0) - rake (13.0.6) - rb-fsevent (0.11.2) - rb-inotify (0.10.1) - ffi (~> 1.0) - rexml (3.2.5) - rouge (4.0.0) - safe_yaml (1.0.5) - sassc (2.4.0) - ffi (~> 1.9) - terminal-table (3.0.2) - unicode-display_width (>= 1.1.1, < 3) - unicode-display_width (2.3.0) - webrick (1.7.0) - -PLATFORMS - arm64-darwin-21 - x86_64-darwin-19 - x86_64-linux - -DEPENDENCIES - jekyll (~> 4.3) - just-the-docs (= 0.5.0) - -BUNDLED WITH - 2.3.9 diff --git a/docs/LICENSE b/docs/LICENSE deleted file mode 100644 index 7d510d02..00000000 --- a/docs/LICENSE +++ /dev/null @@ -1,21 +0,0 @@ -MIT License - -Copyright (c) 2022 just-the-docs - -Permission is hereby granted, free of charge, to any person obtaining a copy -of this software and associated documentation files (the "Software"), to deal -in the Software without restriction, including without limitation the rights -to use, copy, modify, merge, publish, distribute, sublicense, and/or sell -copies of the Software, and to permit persons to whom the Software is -furnished to do so, subject to the following conditions: - -The above copyright notice and this permission notice shall be included in all -copies or substantial portions of the Software. - -THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR -IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, -FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE -AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER -LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, -OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE -SOFTWARE. diff --git a/docs/Makefile b/docs/Makefile new file mode 100644 index 00000000..d4bb2cbb --- /dev/null +++ b/docs/Makefile @@ -0,0 +1,20 @@ +# Minimal makefile for Sphinx documentation +# + +# You can set these variables from the command line, and also +# from the environment for the first two. +SPHINXOPTS ?= +SPHINXBUILD ?= sphinx-build +SOURCEDIR = . +BUILDDIR = _build + +# Put it first so that "make" without argument is like "make help". +help: + @$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) + +.PHONY: help Makefile + +# Catch-all target: route all unknown targets to Sphinx using the new +# "make mode" option. $(O) is meant as a shortcut for $(SPHINXOPTS). +%: Makefile + @$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) diff --git a/docs/README.md b/docs/README.md deleted file mode 100644 index 4a405acd..00000000 --- a/docs/README.md +++ /dev/null @@ -1,181 +0,0 @@ -# just-the-docs-template - -This is a *bare-minimum* template to create a [Jekyll] site that: - -- uses the [Just the Docs] theme; -- can be built and published on [GitHub Pages]; -- can be built and previewed locally, and published on other platforms. - -More specifically, the created site: - -- uses a gem-based approach, i.e. uses a `Gemfile` and loads the `just-the-docs` gem; -- uses the [GitHub Pages / Actions workflow] to build and publish the site on GitHub Pages. - -To get started with creating a site, just click "[use this template]"! - -If you want to maintain your docs in the `docs` directory of an existing project repository, see -[Hosting your docs from an existing project repository](#hosting-your-docs-from-an-existing-project-repository). - -After completing the creation of your new site on GitHub, update it as needed: - -## Replace the content of the template pages - -Update the following files to your own content: - -- `index.md` (your new home page) -- `README.md` (information for those who access your site repository on GitHub) - -## Changing the version of the theme and/or Jekyll - -Simply edit the relevant line(s) in the `Gemfile`. - -## Adding a plugin - -The Just the Docs theme automatically includes the [`jekyll-seo-tag`] plugin. - -To add an extra plugin, you need to add it in the `Gemfile` *and* in `_config.yml`. For example, to add [`jekyll-default-layout`]: - -- Add the following to your site's `Gemfile`: - - ```ruby - gem "jekyll-default-layout" - ``` - -- And add the following to your site's `_config.yml`: - - ```yaml - plugins: - - jekyll-default-layout - ``` - -Note: If you are using a Jekyll version less than 3.5.0, use the `gems` key instead of `plugins`. - -## Publishing your site on GitHub Pages - -1. If your created site is `YOUR-USERNAME/YOUR-SITE-NAME`, update `_config.yml` to: - - ```yaml - title: YOUR TITLE - description: YOUR DESCRIPTION - theme: just-the-docs - - url: https://YOUR-USERNAME.github.io/YOUR-SITE-NAME - - aux_links: # remove if you don't want this link to appear on your pages - Template Repository: https://github.com/YOUR-USERNAME/YOUR-SITE-NAME - ``` - -2. Push your updated `_config.yml` to your site on GitHub. - -3. In your newly created repository on GitHub: - - go to the `Settings` tab -> `Pages` -> `Build and deployment`, then select `Source`: `GitHub Actions`. - - if there were any failed Actions, go to the `Actions` tab and click on `Re-run jobs`. - -## Building and previewing your site locally - -Assuming [Jekyll] and [Bundler] are installed on your computer: - -1. Change your working directory to the root directory of your site. - -2. Run `bundle install`. - -3. Run `bundle exec jekyll serve` to build your site and preview it at `localhost:4000`. - - The built site is stored in the directory `_site`. - -## Publishing your built site on a different platform - -Just upload all the files in the directory `_site`. - -## Customization - -You're free to customize sites that you create with this template, however you like! - -[Browse our documentation][Just the Docs] to learn more about how to use this theme. - -## Hosting your docs from an existing project repository - -You might want to maintain your docs in an existing project repository. Instead of creating a new repository using -the [just-the-docs template](https://github.com/just-the-docs/just-the-docs-template), you can copy the template -files into your existing repository and configure the template's GitHub Actions workflow to -build from a `docs` directory. You can clone the template to your local machine or download the `.zip` file -to access the files. - -### Copy the template files - -1. Create a `.github/workflows` directory at your project root if your repository doesn't already have one. -Copy the `pages.yml` file into this directory. GitHub Actions searches this directory for workflow files. - -2. Create a `docs` directory at your project root and copy all remaining template files into this directory. - -### Modify the GitHub Actions workflow - -The GitHub Actions workflow that builds and deploys your site to GitHub Pages is defined by the `pages.yml` file. -You'll need to edit this file to that so that your build and deploy steps look to your `docs` directory, -rather than the project root. - -1. Set the default `working-directory` param for the build job. - - ```yaml - build: - runs-on: ubuntu-latest - defaults: - run: - working-directory: docs - ``` - -2. Set the `working-directory` param for the Setup Ruby step. - - ```yaml - - name: Setup Ruby - uses: ruby/setup-ruby@v1 - with: - ruby-version: '3.1' - bundler-cache: true - cache-version: 0 - working-directory: '${{ github.workspace }}/docs' - ``` - -3. Set the path param for the Upload artifact step: - - ```yaml - - name: Upload artifact - uses: actions/upload-pages-artifact@v1 - with: - path: "docs/_site/" - ``` - -4. Modify the trigger so that only changes within the `docs` directory start the workflow. -Otherwise, every change to your project (even those that don't affect the docs) would trigger a new site build and deploy. - - ```yaml - on: - push: - branches: - - "main" - paths: - - "docs/**" - ``` - -## Licensing and Attribution - -This repository is licensed under the [MIT License]. You are generally free to reuse or extend upon this code as you -see fit; just include the original copy of the license (which is preserved when you "make a template"). -While it's not necessary, we'd love to hear from you if you do use this template, and how we can improve it for future use! - -The deployment GitHub Actions workflow is heavily based on GitHub's mixed-party [starter workflows]. -A copy of their MIT License is available in [actions/starter-workflows]. - ----- - -[Jekyll]: https://jekyllrb.com -[Just the Docs]: https://just-the-docs.github.io/just-the-docs/ -[GitHub Pages]: https://docs.github.com/en/pages -[GitHub Pages / Actions workflow]: https://github.blog/changelog/2022-07-27-github-pages-custom-github-actions-workflows-beta/ -[Bundler]: https://bundler.io -[use this template]: https://github.com/just-the-docs/just-the-docs-template -[`jekyll-default-layout`]: https://github.com/benbalter/jekyll-default-layout -[`jekyll-seo-tag`]: https://jekyll.github.io/jekyll-seo-tag -[MIT License]: https://en.wikipedia.org/wiki/MIT_License -[starter workflows]: https://github.com/actions/starter-workflows/blob/main/pages/jekyll.yml -[actions/starter-workflows]: https://github.com/actions/starter-workflows/blob/main/LICENSE diff --git a/docs/_config.yml b/docs/_config.yml deleted file mode 100644 index ba7498ac..00000000 --- a/docs/_config.yml +++ /dev/null @@ -1,26 +0,0 @@ -title: itwinai -description: Docs for task T6.5 prototype of interTwin project -theme: just-the-docs - -url: https://interTwin-eu.github.io/T6.5-AI-and-ML - -aux_links: - Template Repository: https://github.com/interTwin-eu/T6.5-AI-and-ML - -favicon_ico: "favicon.ico" - -nav_external_links: - - title: itwinai on GitHub - url: https://github.com/interTwin-eu/T6.5-AI-and-ML - hide_icon: false # set to true to hide the external link icon - defaults to false - - title: interTwin on GitHub - url: https://github.com/interTwin-eu/ - hide_icon: false # set to true to hide the external link icon - defaults to false - - title: interTwin project - url: https://www.intertwin.eu/ - hide_icon: false # set to true to hide the external link icon - defaults to false - -mermaid: - # Version of mermaid library - # Pick an available version from https://cdn.jsdelivr.net/npm/mermaid/ - version: "10.1.0" diff --git a/docs/advanced_workflow.rst b/docs/advanced_workflow.rst new file mode 100644 index 00000000..121d3acc --- /dev/null +++ b/docs/advanced_workflow.rst @@ -0,0 +1,19 @@ +Advanced workflow +================= + +tutorial_2_advanced_workflow.py ++++++++++++++++++++++++++++++++ + +The `tutorial_2_advanced_workflow.py` script is ... + +.. .. literalinclude:: ../use-cases/mnist/torch-lightning/dataloader.py +.. :language: python + +.. automodule:: tutorial_2_advanced_workflow + :members: + :undoc-members: + :show-inheritance: + + +.. literalinclude:: ../tutorials/ml-workflows/tutorial_2_advanced_workflow.py + :language: python diff --git a/docs/basic_comp.rst b/docs/basic_comp.rst new file mode 100644 index 00000000..5acfe66d --- /dev/null +++ b/docs/basic_comp.rst @@ -0,0 +1,16 @@ +Basic components +================ + +basic_components.py ++++++++++++++++++++ + +The `basic_components.py` script is ... + +.. .. literalinclude:: ../use-cases/mnist/torch-lightning/dataloader.py +.. :language: python + +.. automodule:: basic_components + :members: + :undoc-members: + :show-inheritance: + diff --git a/docs/basic_workflow.rst b/docs/basic_workflow.rst new file mode 100644 index 00000000..cd77d328 --- /dev/null +++ b/docs/basic_workflow.rst @@ -0,0 +1,19 @@ +Basic workflow +============== + +tutorial_0_basic_workflow.py +++++++++++++++++++++++++++++ + +The `tutorial_0_basic_workflow.py` script is ... + +.. .. literalinclude:: ../use-cases/mnist/torch-lightning/dataloader.py +.. :language: python + +.. .. automodule:: tutorial_0_basic_workflow +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. literalinclude:: ../tutorials/ml-workflows/tutorial_0_basic_workflow.py + :language: python + diff --git a/docs/conf.py b/docs/conf.py new file mode 100644 index 00000000..f4c9b297 --- /dev/null +++ b/docs/conf.py @@ -0,0 +1,73 @@ +# Configuration file for the Sphinx documentation builder. +# +# For the full list of built-in configuration values, see the documentation: +# https://www.sphinx-doc.org/en/master/usage/configuration.html + +# -- Project information ----------------------------------------------------- +# https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information + +import os +import sys +import subprocess + +sys.path.insert(0, os.path.abspath('../use-cases/')) +sys.path.insert(0, os.path.abspath('../use-cases/3dgan/')) +sys.path.insert(0, os.path.abspath('../use-cases/mnist/torch-lightning/')) +sys.path.insert(0, os.path.abspath('../use-cases/mnist/torch/')) +sys.path.insert(0, os.path.abspath('../tutorials/ml-workflows/')) +sys.path.insert(0, os.path.abspath('../src/itwinai')) +sys.path.insert(0, os.path.abspath('../src/itwinai/tensorflow')) +sys.path.insert(0, os.path.abspath('../src/itwinai/torch')) +sys.path.insert(0, os.path.abspath('../')) + +project = 'itwinai' +copyright = '2024, Matteo Bunino, Alexander Zoechbauer, Kalliopi Tsolaki, Rakesh Sarma on behalf of CERN & JSC' +author = 'Matteo Bunino, Alexander Zoechbauer, Kalliopi Tsolaki' +# version = '0.0' # short version +# release = '0.0.2' # full version + +# -- General configuration --------------------------------------------------- +# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration + +extensions = ['sphinx.ext.autodoc', 'sphinx.ext.doctest', + 'sphinx.ext.viewcode'] # 'myst_parser' + +templates_path = ['_templates'] +exclude_patterns = ['_build', 'Thumbs.db', '.DS_Store'] + +autodoc_mock_imports = ["mlflow"] + +# -- Options for HTML output ------------------------------------------------- +# https://www.sphinx-doc.org/en/master/usage/configuration.html#options-for-html-output + + +def get_git_tag(): + try: + return subprocess.check_output(['git', 'describe', '--tags', '--abbrev=0']).decode('utf-8').strip() + except subprocess.CalledProcessError: + return 'unknown' + + +# Set the version to the latest tag +version = get_git_tag() +release = version + +html_theme = 'sphinx_rtd_theme' # 'alabaster' +html_static_path = ['_static'] + +html_context = { + 'display_version': True, + 'release': release +} + +html_footer = """ +
+ Version: {{ release }} +
+""" + +html_sidebars = { + '**': [ + html_footer # Adds the custom footer with version information + ] +} diff --git a/docs/docs/CLI.md b/docs/docs/CLI.md deleted file mode 100644 index a2383b46..00000000 --- a/docs/docs/CLI.md +++ /dev/null @@ -1,53 +0,0 @@ ---- -layout: default -title: CLI -nav_order: 3 ---- - -# Command-line interface (CLI) - - -The `itwinai` package provides a custom CLI, which can be accessed, for instance -from the development environment: - -```bash -# Activate development environment -micromamba activate ./.venv-dev - -# Access itwinai CLI -itwinai --help -``` - -## Visualization - -Some visualization functionalities offered by `itwinai` CLI. - -```bash -# Datasets registry -itwinai datasets --help - -# Workflows (any file '*-workflow.yml') -itwinai workflows --help -``` - -## Machine learning - -```bash -# Training -itwinai train --help - -# Launch MLFlow UI to visualize ML logs -itwinai mlflow-ui --help - -# Inference -itwinai predict --help -``` diff --git a/docs/docs/Concepts.md b/docs/docs/Concepts.md deleted file mode 100644 index 5830fcfe..00000000 --- a/docs/docs/Concepts.md +++ /dev/null @@ -1,35 +0,0 @@ ---- -layout: default -title: Concepts -nav_order: 4 ---- - -# Concepts - - -Here we presents the key concepts on which `itwinai` is based. - -## Workflow - -We define a workflow as a directed acyclic graph (DAG) of data processing -operations, in which each step can have multiple inputs and outputs, and -each input or output is a dataset. - -![image](img/Workflow%20DAG%20concept.png) - -In the picture above, the yellow boxes with numbers represent the steps -in the example workflow, whereas the blue cylinders represent data -(e.g., dataset, configuration file). - -Each step runs in *isolation* from the others, and data is the *interface*. -Isolation can be guaranteed by executing each step in a Docker container or -in a separate Python virtual environment. diff --git a/docs/docs/How-to-use-this-software.md b/docs/docs/How-to-use-this-software.md deleted file mode 100644 index 15a36b44..00000000 --- a/docs/docs/How-to-use-this-software.md +++ /dev/null @@ -1,540 +0,0 @@ ---- -layout: default -title: How to use this software -nav_order: 2 ---- - -# How to use this software -{: .no_toc } - -## Table of contents -{: .no_toc .text-delta } - -1. TOC -{:toc} - ---- - -This guide provides a detailed explanation on how to use the AI/ML workflow -tool, developed in the context of [interTwin](https://github.com/interTwin-eu/). - -**Target audience**: anyone aiming to simplify MLOps for their digital twin (DT) -use case/project. Use cases from interTwin project. - -## Clone this repo - -```bash -git clone git@github.com:interTwin-eu/T6.5-AI-and-ML.git -``` - -A new use case/project can be added under `./use-cases` folder. - -Build the workflow runner environment and development environment -following the instructions on the README file. - -## Define a DT workflow - -Before delving into workflow definition rules, make sure to have -understood *what is* a [workflow](./Concepts#workflow) in this context. - -You can define one or more workflows for your DT use case (e.g., ML training, -ML inference, other). A workflow is -defined through configuration files in the use case subfolder. -For the same use case, a DT developer can define multiple workflows, -in which multiple datasets are involved. - -Currently, each step is executed in an isolated Python virtual environment, -built according to [conda](https://docs.conda.io/en/latest/) standards. -In practice, it is built with -[Micromamba](https://mamba.readthedocs.io/en/latest/user_guide/micromamba.html), -which is faster. - -To begin with, you can start by looking at an example of the -[MNIST toy use case](use-cases/mnist), located at `use-cases/mnist` -in the code repository. - -### Use case metadata - -The main configuration file of an use case is `meta.yml`, which stores -the metadata of it. When creating a new use case, you need to update the -`root` field with the path to the use case folder, with respect to the -repo root. - -The datasets registry is a field in this configuration file, -which stores the metadata -for all datasets involved in a use case. This configuration provides a -unified place where datasets can be maintained, making it easy to access -them from other configuration files. - -The dataset registry has the format: - -```yaml -datasets: - some-dataset-name: - doc: Documentation string for this dataset - location: path/to/dataset/disk/location -``` - -Example of `meta.yml` from [MNIST use case](use-cases/mnist): - -```yaml -# Use case root location. End without path '/' char! -root: ./use-cases/mnist - -# AI folder location. End without path '/' char! -ai-root: ./ai - -# Datasets registry -datasets: - preproc-images: - doc: Preprocessed MNIST images - location: ${root}/data/preproc-images - ml-logs: - doc: MLflow tracking URI for local logging - location: ${root}/data/ml-logs - ml-predictions: - doc: predictions on unseen data - location: ${root}/data/ml-predictions -``` - -Datasets are imported from the datasets registry to other files by means -of [OmegaConf](https://omegaconf.readthedocs.io/)'s -[variable interpolation](https://omegaconf.readthedocs.io/en/2.3_branch/usage.html#variable-interpolation). -This way, you can easily import datasets metadata (e.g., location on -file system) from datasets registry. - -Dataset registry of an use case can be visualized using [itwinai CLI](./CLI#visualization): - -```bash -USE_CASE_ROOT='use-cases/mnist/' -micromamba activate ./.venv-dev && \ - itwinai datasets --use-case $USE_CASE_ROOT -``` - -### Workflow configuration - -Use case workflows are defined with `*-workflow.yml` files in the use case root, -and there are two ways to define a workflow: - -- "Custom" format for workflow definition is an intuitive standard we created -for this prototype, for easy prototyping. -- [Common Workflow Language](https://www.commonwl.org/) (CWL), which is -currently under development, and not ready to be used. - -Which of the two is used is defined by setting the `--cwl` flag (explained -[below](#run-the-workflow)). - -#### Custom workflow definition - -To define a workflow with the custom format, the DT developer must follow -the structure provided below. - -The `steps` section defines the steps of the workflow, in the order in which -they have to be executed: - -```yaml -steps: - - some-step-name: - doc: Documentation string for this step - env: # micromamba environment metadata - file: some-conda-env.yml - prefix: path/to/conda/env/ - command: Command to execute inside micromamba env - args: # Command arguments. - # Note interpolation with datasets registry here! - some-arg: ${datasets.my-dataset.location} - some-other-arg: 42 - - next-step-name: - ... -``` - -Example workflow from [MNIST use case](use-cases/mnist), defined in -`training-workflow.yml`: - -```yaml -steps: - - preprocessing: - doc: Download and split MNIST dataset into train and test sets - command: python ${root}/mnist-preproc.py - env: - file: ${root}/env-files/preproc-env.yml - prefix: ${root}/.venv-preproc - args: - output: ${datasets.preproc-images.location} - stage: train - - ml-training: - doc: Train a neural network to classify MNIST images - command: itwinai train - env: - file: ${ai-root}/env-files/pytorch-lock.yml - prefix: ${ai-root}/.venv-pytorch - source: ${ai-root} - args: - train-dataset: ${datasets.preproc-images.location} - ml-logs: ${datasets.ml-logs.location} - config: ${root}/mnist-ai-train.yml -``` - -Step 1 is named `preprocessing` and uses the `mnist-preproc.py` script to pre-process the MNIST dataset. It takes no -input, generates an output dataset named `preproc-images`, and uses an environment defined in a YAML file named -`preproc-env.yml` located in the `./use-cases/mnist` directory. -Step 2 is named `ml-training` and trains a machine learning model using the preprocessed image data generated in -the first step. The training is performed using the train command from the `itwinai` tool. The input dataset is -`preproc-images`, and the output is `ml-logs`. The step uses an environment defined in a YAML file named -`pytorch-env.yml` located in the `./ai` directory. The machine learning model is configured using the `mnist-ai-train.yml` -file located in the `./use-cases/mnist` directory. - -#### CWL: under development and not ready to be used yet - -**NOTE**. At the moment, support for CWL is under development, -and is not available. - - - -## Implement workflow steps - -Implement use case-specific steps. -Note that the implementation of steps involving AI/ML are addressed in the next -step, and they can be implemented a bit more easily. - -Each step of a workflow is characterized by its python virtual environment -and a command to be executed in that -environment. A command can be implemented by providing, for instance, a python script to be executed in some environment. - -To execute a step, the workflow engine will run something like: - -```bash -micromamba run -p PATH_TO_STEP_ENV CMD --arg1 ARG_1_VAL ... --argN ARG_N_VAL -``` - -Where: - -- `PATH_TO_STEP_ENV` is the path to the micromamba environment for this step. -- `CMD` is the command to execute in that environment. -- The developer can use additional parameters which are automatically appended -to the command. - -*Example*: in the [MNIST use case](use-cases/mnist), -the preprocessing step is implemented by a python script, which downloads and -splits the MNIST dataset in a specific location. Using a command similar to: - -```bash -micromamba run -p ./use-cases/mnist/.venv-preproc \ - python ./use-cases/mnist/mnist-preproc.py \ - --output ./data/mnist/preproc-images-inference \ - --stage train -``` - -## Define AI/ML workflow - -AI/ML workflows are implemented by the `itwinai` module. -The DT developer, who wants to include a new use case, needs to provide -only a reduced amount of code to describe a neural network, plus some -configuration files. - -The developer must implement the neural network to train and include it inside -`itwinai` python package, under `ai/src/itwinai`. For instance, under -`ai/src/itwinai/plmodels` when using PyTorch Lightning. - -For instance, `LitMNIST` neural network used in [MNIST use case](use-cases/mnist) -has been added under `ai/src/itwinai/plmodels/mnist.py` - -Once a model has been included inside the `itwinai` python module, it can be imported during training. -In the future, `itwinai` will support also neural networks not provided out-of-the-box by `itwinai`. - -The developer must define two configuration files to access `itwinai` -functionalities. -First, ML training configuration, associated with `$ itwinai train` [CLI](./CLI) command. -Second, ML inference configuration, associated with `$ itwinai predict` [CLI](./CLI) command. - -MLOps heavily relies on commands provided by [itwinai CLI](./CLI). -Therefore, before continuing, make sure to have understood how -[itwinai CLI](./CLI) works. - -### ML training configuration - -ML training configuration is provided in a with naming convention `*-ai-train.yml` -under the use case root directory. - -An example configuration file is provided below, where the fields have been replaced with their respective description: - -```yaml -# Configuration file of AI workflows for X use case - -# Training configuration -train: - type: > - can be 'lightning' or 'tf', depending whether the neural network is defined - using PyTorch Lightning or TensorFlow. - At the moment, only 'lightning' is supported. - - # Configuration format defined by PyTorch Lightning CLI - # https://pytorch-lightning.readthedocs.io/en/1.6.5/common/lightning_cli.html - conf: - # See discussion below - ... - -# MLFlow logger configuration -logger: - experiment_name: > - Unique name for an experiment, to group all similar - runs under the same experiment - description: Description for this specific run. - log_every_n_epoch: how often to log (epochs) - log_every_n_steps: how often to log (steps, i.e., batches) - registered_model_name: > - Unique name used in Models Registry to identify an ML model. - If given, it is automatically registered in the Models Registry. -``` - -When using PyTorch Lightning (PL) ML framework, the training configuration is easy to define, as it follows the schema -pre-defined by lightning authors for the PL CLI. See its documentation -[here](https://pytorch-lightning.readthedocs.io/en/1.6.5/common/lightning_cli.html#trainer-callbacks-and-arguments-with-class-type), -[here](https://pytorch-lightning.readthedocs.io/en/1.6.5/common/lightning_cli.html#trainer-callbacks-and-arguments-with-class-type), -[here](https://pytorch-lightning.readthedocs.io/en/1.6.5/common/lightning_cli.html#multiple-models-and-or-datasets), and -[here](https://pytorch-lightning.readthedocs.io/en/1.6.5/common/lightning_cli.html#optimizers-and-learning-rate-schedulers). - -An example taken from -[MNIST use case](use-cases/mnist) located at `use-cases/mnist/mnist-ai-training.yml`: - -```yaml -# Pytorch lightning config for training -train: - type: lightning - # Follows lightning config file format: - # https://pytorch-lightning.readthedocs.io/en/1.6.5/common/lightning_cli.html#multiple-models-and-or-datasets - conf: - seed_everything: 4231162351 - - # Lightning Trainer configuration - trainer: - accelerator: auto - strategy: auto - devices: auto - num_nodes: 1 - precision: 32-true - - # MLFlow logger (initial) configuration. - # To be completed with run details, later on - logger: - class_path: lightning.pytorch.loggers.MLFlowLogger - init_args: - experiment_name: ${logger.experiment_name} - save_dir: ./mlruns - - # Callbacks - callbacks: - - class_path: lightning.pytorch.callbacks.early_stopping.EarlyStopping - init_args: - monitor: val_loss - patience: 2 - - class_path: lightning.pytorch.callbacks.lr_monitor.LearningRateMonitor - init_args: - logging_interval: step - - class_path: lightning.pytorch.callbacks.ModelCheckpoint - init_args: - dirpath: checkpoints - filename: best-checkpoint - save_top_k: 1 - verbose: true - monitor: val_loss - mode: min - - max_epochs: 1 - - # Lightning Model configuration - model: - class_path: itwinai.plmodels.mnist.LitMNIST - init_args: - hidden_size: 64 - - # Lightning data module configuration - data: - class_path: itwinai.plmodels.mnist.MNISTDataModule - init_args: - data_dir: ${cli.train_dataset} - batch_size: 32 - - # Torch Optimizer configuration - optimizer: - class_path: torch.optim.AdamW - init_args: - lr: 0.001 - - # Torch LR scheduler configuration - lr_scheduler: - class_path: torch.optim.lr_scheduler.ExponentialLR - init_args: - gamma: 0.1 - -# Mlflow -logger: - experiment_name: MNIST classification lite - description: A MLP classifier for MNIST dataset. - log_every_n_epoch: 1 - log_every_n_steps: 1 - # Name used in Models Registry. If given, it is automatically - # registered in the Models Registry. - registered_model_name: MNIST-clf-lite -``` - -Note the field `data_dir: ${cli.train_dataset}` in the above configuration. -More on this later. - -### ML inference configuration - -ML training configuration is provided in a with naming convention -`*-ai-inference.yml` under the use case root directory. - -An example configuration file is provided below, where the fields have been replaced with their respective description: - -```yaml -inference: - experiment_name: > - Unique name for an experiment, to group all similar - runs under the same experiment - run_id: Run ID in MLFlow server of pre-trained model - ckpt_path: model/checkpoints/best-checkpoint/best-checkpoint.ckpt - train_config_artifact_path: name of training config saved to MLFlow artifacts folder - type: > - can be 'lightning' or 'tf', depending whether the neural network is defined - using PyTorch Lightning or TensorFlow. - At the moment, only 'lightning' is supported. - - # Configuration format defined by PyTorch Lightning CLI - # https://pytorch-lightning.readthedocs.io/en/1.6.5/common/lightning_cli.html - conf: - # See discussion below - ... -``` - -Regarding the `inference.conf` field, same considerations hold as for `train.conf` field of ML training configuration. - -An example taken from -[MNIST use case](use-cases/mnist) located at `use-cases/mnist/mnist-ai-training.yml`: - -```yaml -inference: - type: lightning - experiment_name: MNIST classification lite - # Run ID in MLFlow server: pre-trained model - run_id: 54f790100be646e0a7ccbb1235729d00 - ckpt_path: model/checkpoints/best-checkpoint/best-checkpoint.ckpt - train_config_artifact_path: pl-training.yml - conf: - # Lightning data module configuration - data: - class_path: itwinai.plmodels.mnist.MNISTDataModule - init_args: - data_dir: ${cli.input_dataset} - batch_size: 32 -``` - -### Accessing CLI args from config file - -As explained above, train and predict commands in itwinai CLI receive as input -specific configuration files: - -- The `train` command receives `*-ai-train.yml` as configuration. -- The `predict` command receives `*-ai-inference.yml` as configuration. - -With [OmegaConf](https://omegaconf.readthedocs.io/)'s -[variable interpolation](https://omegaconf.readthedocs.io/en/2.3_branch/usage.html#variable-interpolation) -you can access the args from the itwinai CLI command from the configuration file -associated with this command. - -Example: the field `data_dir: ${cli.input_dataset}` in the above configuration -accesses the value of `--input-dataset` argument of `itwinai predict` command. - -### ML framework: PyTorch vs. TensorFlow - -At the moment, only PyTorch are supported. TensorFlow support is planned for -future releases. - -## Run the workflow - -Once a workflow has been configured, it can be run by executing `run-workflow.py` in the root of this repo: - -```bash -micromamba run -p ./.venv python run-workflow.py -f WORKFLOW_DEFINITION_FILE -``` - -This script performs two main actions: - -1. Deploy ste steps of a workflow as python environments, managed with Conda. -2. Run a workflow step-by-step, following the directives given in the config file. - -See some examples of workflow executions in `examples.sh`, for instance: - -```bash -# Run workflow for MNIST toy use case -micromamba run -p ./.venv python run-workflow.py -f ./use-cases/mnist/training-workflow.yml -``` - - - -## Write tests cases - -Integrating an new use case means defining new workflows for it. -It is strongly suggested to define "integration" test cases for -those workflows. This way, every time `itwinai` -framework is updated, integration tests automatically verify that -the use case integrates well with the new changes introduced in the -main framework. -Moreover, integration tests verify that an use case case is stable, -and is not hiding some "bug". - -Add test for your use case under the `test/` folder. 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zb;2lA+h%5G@d-B&L7;J$f%00qe+1HDsxrOE7(1UgG!%90$;DRldu_Aqo9`^bYXl_Y zGn4wWB+f~SeZhe^Igzib)DPgb0PDJczicb7!^bmHA_ z_Zl%G`AU3=9C%BE8H}@BZsO@GUd5y@&?X4~DV~^Z#_Ka3F;$G0*>2=&@lw@cHzT$^ hCD>8?-@6E{seF`-B-0hx*FgOGX-)kT`RbQ~{y!RhR7L;* diff --git a/docs/docs/use-cases/index.md b/docs/docs/use-cases/index.md deleted file mode 100644 index 681caeb6..00000000 --- a/docs/docs/use-cases/index.md +++ /dev/null @@ -1,12 +0,0 @@ ---- -layout: default -title: Use cases -nav_order: 4 -has_children: true ---- - -# Use cases - -Digital twin use cases employing machine learning workflows, currently integrated -in this prototype. -To integrate a new use case, please refer to [this page](../How-to-use-this-software). diff --git a/docs/docs/use-cases/mnist.md b/docs/docs/use-cases/mnist.md deleted file mode 100644 index e22f7ab1..00000000 --- a/docs/docs/use-cases/mnist.md +++ /dev/null @@ -1,185 +0,0 @@ ---- -layout: default -title: MNIST -parent: Use cases -nav_order: 1 ---- - -# MNIST: toy example for DT workflows -{: .no_toc } - -## Table of contents -{: .no_toc .text-delta } - -1. TOC -{:toc} - ---- - -Of course MNIST images classification is not a digital twin. Still, it is useful to -provide an example on how to define an end-to-end digital twin workflow with the -software provided in this repository. - -The MNIST use case implements two workflows: - -1. Training workflow: train a neural network to classify MNIST images, and save the trained -neural network to the Models Registry. - - ```mermaid - flowchart LR - %% Nodes - preproc(Pre-processing) - ai(ML training) - reg[(Models Registry:\npre-trained ML models)] - - %% Workflow - preproc --> ai - - %% Connections - ai -.-> |Saves to| reg - ``` - - This workflow is executed by running the command: - - ```bash - micromamba run -p ./.venv python run-workflow.py -f ./use-cases/mnist/training-workflow.yml - ``` - -1. Inference workflow: use the pre-trained neural network to classify unseen images (the test set, in this case). - - ```mermaid - flowchart LR - %% Nodes - preproc(Pre-processing) - ai_depl(ML inference) - pred[(Predictions)] - - %% Workflow - preproc --> ai_depl - - %% Connections - ai_depl -.-> |Saves to| pred - ``` - - This workflow is executed by running the command: - - ```bash - micromamba run -p ./.venv python run-workflow.py -f ./use-cases/mnist/inference-workflow.yml - ``` - -The interactions among workflows and their steps can be described in more details as the following, where conceptual ordering -among different workflow steps is represented by solid arrows: - -```mermaid -graph TD - %% Nodes - remote_repo[(Remote repo)] - preproc(Pre-processing) - ai(ML training) - ai_depl(ML inference) - train_set[(Train dataset)] - test_set[(Test dataset)] - ml_logs[(ML logs)] - reg[(Models Registry:\npre-trained ML models)] - pred[(Predictions)] - - %% Workflow - preproc --> ai ---> ai_depl - - %% Connections - preproc -.-> |Fetches| remote_repo - preproc -.-> |Stores| train_set - preproc -.-> |Stores| test_set - ai -.-> |Trains/validates model| train_set - ai -.-> |Tests model| test_set - ai -.-> |Stores model to| reg - ai -.-> |Logs| ml_logs - ai_depl -.-> |Loads from| reg - ai_depl -.-> |Predict from| test_set - ai_depl -.-> |Stores| pred -``` - -## Workflow steps - -Here we explain in more details how the workflow steps have been configured. -Configuration files and Python scripts are organized under `use-cases/mnist/` -folder, in the core repository. - -### Pre-processing - -This step is implemented by executing `mnist-preproc.py` script in its dedicated micromamba environment, defined by -`preproc-env.yml`. This solution gives full freedom to the DT developer to implement any preprocessing logic, adaptable -to any custom dataset format. - -### ML training - -Is the step in which a neural network is trained on the training dataset, and -validated on the validation dataset. -The mentioned datasets are a result from a split of the pre-processed training -dataset, produced by the pre-processing step. -This step completes the **training workflow**, and results into ML logs and a -trained neural network, which is saved to -the Models Registry. The training workflow can be re-run multiple times with different (hyper)parameters, with the goal -of optimizing some ML validation metric. The neural network with the best validation performances is used to make -predictions on unseen data, in the inference step. - -ML training logic is implemented by the `itwinai` library, requiring the DT developer to produce only a set of YAML -configuration files. For the moment, we assume that the neural network and the training code is already present in -`itwinai` library. - -Both ML training and inference are implemented by commands executed in the same virtual environment. At the moment, -only PyTorch is supported. The corresponding virtual environment definition, used by the `itwinai` library, -is located at `ai/pytorch-env.yml`. - -The ML training logic provided by `itwinai` library is accessed via the -[itwinai CLI](../CLI). - -The DT developer must provide a training configuration file, following some -rules explained in [this section](../How-to-use-this-software#ml-training-configuration). For MNIST use case, the -training configuration is provided by `mnist-ai-train.yml` file. - -Training command is automatically managed by the workflow runner, but it can also -be triggered from withing the ai environment running the following command: - -```bash -micromamba activate ./ai/.venv-pytorch && \ - itwinai train --train-dataset $TRAINING_DATASET_PATH \ - --ml-logs $MLFLOW_TRACKING_URI \ - --config ./use-cases/mnist/mnist-ai-train.yml -``` - -While training is running, the produced ML logs can be inspected in real-time from MLFlow UI by running the command in -the training virtual environment (Conda): - -```bash -micromamba activate ./ai/.venv-pytorch && \ - itwinai mlflow-ui --path $PATH_TO_ML_LOGS -``` - -### ML inference - -A pre-trained neural network is applied to a set of data which was not used to train it. In fact, this is defined as -"unseen" data, from the neural network perspective. An example of ML inference is the application of a trained neural -network to make predictions on new data, to support decision making. *Example*: forecast fire risk maps in Sicily in -August 2023, starting from newly-collected satellite images, to alert local authorities in case of elevated fire risk. - -To select a pre-trained ML model, the DT developer must retrieve the `RUN ID` of -the training run created by MLFLow for some specific training. - -The, the DT developer can update the inference configuration file -`mnist-ai-inference.yml` and run inference workflow. - -Inference/prediction command is automatically managed by the workflow runner, but it can also be triggered from within -the ai environment running the following command: - -```bash -micromamba activate ./ai/.venv-pytorch && \ - itwinai predict --input-dataset $UNSEEN_EXAMPLES_DATASET_PATH \ - --predictions-location $PREDICTIONS_LOCATION \ - --ml-logs $PATH_TO_ML_LOGS \ - --config ./use-cases/mnist/mnist-ai-inference.yml -``` - -## References - -To learn more on how to use this software, e.g., to deploy a new use case, please refer to [this guide](../How-to-use-this-software). diff --git a/docs/favicon.ico b/docs/favicon.ico deleted file mode 100644 index 1665919207a78e8012a58e4425fd3fb90f51c3f4..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 15406 zcmeHNU1(fI6rR~MB$33l52nTjS+R)~MN*bZkd`ipL`oD96-sF-rKz?rqDAaO!TL}e z4Q*Al6#q6=@Q)&GL{P+neUQFbL8`GTt)eqv`yT1xmezvd+#-eTPzCU8mF%w1EgD z(&b2k(o!_s5B?E6nPEP&jCEerfQr|_(_ryn*0BxST8a6iU@tjmIon!wP^YtvU!F1~ z_Gt#Q)}rR$AgZ<@E8o!2AZ=}JqFFa%hcafY(&gP>zk6U$^aTe9oBI!!N{BWEk>Rgiowq@C}#YMoj;gQ`J@?>psDd6$`|XuMhA7y_@Wt?nbhn3 zp}ZmElg2kV$9(pCe~o-zDc6}OI1c9eR03*-jy2#nz{kNOVD_8LXO^*!ZP>O{bPE(E zz!Tu0KESq=p=_aa4Fvaqr@%q&I@?i}I;blj!fv5XfSvjZ%~Kb32B8=lod*|c%S(T z?csXIccPbX6a|}+NJKVo-Yln2pU&>%d>9=amHz&IX=-Zn!a z_#ySY@m=}g;72yQ&dkuzkStoXC|7@a4AuYx*KB)zq(=1CBeUDi#6eFUz3McXlRtLs znAFtN*lnb3n!UtUr(+KXvduA=_sW?3a^>$Fo6dsOt5@4>Wcqv@Dfcd0o$h@vuzh0K zef&?Sxt#o=Lx*fOGB(W~YOmY=O?BDjf%G$5?_|pe${jae9 zRr~$p8er>xDqp$vr`qc;x|@m>bH~7pOL_Mn+OPKhOAOVFKWM+&@fR^vGybG~QZ?i6 zG=lUvlrk31=ljE8pg+(ji-}7qOC4_UHi`og-^~QrJw`NZggq_A_oow_i4{%EWMYSM ze}6l1{HyXjC&3Y|S`RMKISDl7Py{6lz&C??zF)(#jf}$`o06qieSzA!NUhSxZx(2{ea5+drDQ*eW zQ{W`n3rn%()J+?-MVqCfI23&bF2#8J^^rDcD-JG}I0lb`&w;s~`q?g3J#En@Z5KKZ z^^ko6Tuy)S>o08+1F_^o>@(#qg8giiyPg<`C7*fVyj64Dont~Q#NnX8X<0ZyVj6nk9*7etlzV&X=cdZw_qE{lf-M)~Y&V0ESc#d$_?0oBzu(WR6Mf@S(Q9ABef=M~XQ6vWB(mv4(YOy#b&Xj} zjg5`6a^*@H930Hv?OP9G$H&Lzz<~o2i^Zg_t}ZJFOkU5#O3cK*0L(bnt8Kcx`Fhd! z?-1QLoQpeiW^T^$b^kfhkL*qTuYvz#*tc(=jE#+1A-g`0jEu;xUAv^UwRLtZX{^Ld z?EH>6J1hPM_{y67qV`_&#cukbUc4mg@y}%N^Dkv;YRVO_TjAv7q$CoFAU;LR=DW$e zzd9oNo~@!@x)L0_Wj-GIWI~emzjV04wv|m!Ps_G#+fsKxvySV`H=if|$W6;c_n$2Y zJLjTle^TE0VM+igFQUJ7b#-~-%Ji!bDZfeG+ul+rx(s z`^|y*)^^38x>J1i`=ar;zL}JtNB!@joD(!WJS-g@9j@3iW9~dBu(j2J+3aUSSP=fIV`6DY;~owdJlWVkN*pOF^7&(Q{L#lfW_ z&I8w0?hobkC+emR+M>;JP!viBz>JqlF(1@HT?61KxDv$JBL)uR|2M4TW6s~rIWWIP Y&6%F{T!YVZ>Hjm`_, build the environment containing pytorch, horovod, and deepspeed. You can try with: + +.. code-block:: bash + + # Creates a Python environment called envAI_hdfml + make torch-gpu-jsc + + +Distributed training +++++++++++++++++++++ + + Each distributed strategy is described with a SLURM job script used to run that strategy. + +So if you want to distribute the code in `train.py` with, for example, **torch DDP**, run from terminal: + +.. code-block:: bash + + sbatch ddp_slurm.sh + +Similarly, if you want to distribute the code in `train.py` with **DeepSpeed**, run from terminal: + +.. code-block:: bash + + sbatch deepspeed_slurm.sh + +To distribute the code in `train.py` with **Horovod**, run from terminal: + +.. code-block:: bash + + sbatch hvd_slurm.sh + +Finally, you can run all of them with: + +.. code-block:: bash + + bash runall.sh + + + + + +💻 Local systems +----------------- + +**Requirements** + +* Linux environment. + +Windows and macOS were never tested. + + +Micromamba installation ++++++++++++++++++++++++ + +To manage Conda environments we use micromamba, a lightweight version of Conda. + +In order to install micromamba, please refer to the `Manual installation guide `_. + +Consider that Micromamba can eat a lot of space when building environments because packages are cached on the local filesystem after being downloaded. To clear cache, you can use `micromamba clean -a`. +Micromamba data are kept under the `$HOME` location. However, in some systems, `$HOME` has a limited storage space so it is recommended to install Micromamba in another location with more storage space by changing the `$MAMBA_ROOT_PREFIX` variable. +Below is a complete installation example where the default `$MAMBA_ROOT_PREFIX` is overridden for Linux: + + +.. code-block:: bash + + cd $HOME + + # Download micromamba (This command is for Linux Intel (x86_64) systems. Find the right one for your system!) + curl -Ls https://micro.mamba.pm/api/micromamba/linux-64/latest | tar -xvj bin/micromamba + + # Install micromamba in a custom directory + MAMBA_ROOT_PREFIX='my-mamba-root' + ./bin/micromamba shell init $MAMBA_ROOT_PREFIX + + # To invoke micromamba from Makefile, you need to add explicitly to $PATH + echo 'PATH="$(dirname $MAMBA_EXE):$PATH"' >> ~/.bashrc + +**Reference**: `Micromamba installation guide `_. + + +Environment setup ++++++++++++++++++ + +**Requirements:** + +* Linux environment. Windows and macOS were never tested. +* Micromamba: see the installation instructions above. +* VS Code, for development. + +Tensorflow +++++++++++ + +Installation: + +.. code-block:: bash + + # Install TensorFlow 2.13 + make tf-2.13 + + # Activate env + micromamba activate ./.venv-tf + +Other TensorFlow versions are available, using the following targets `tf-2.10`, and `tf-2.11`. + + +PyTorch (+ Lightning) ++++++++++++++++++++++ + +Installation: + +.. code-block:: bash + + # Install PyTorch + lightning + make torch-gpu + + # Activate env + micromamba activate ./.venv-pytorch + +Other similarly CPU-only version is available at the target `torch-cpu`. + + +Development environment ++++++++++++++++++++++++ + +This is for developers only. To have it, update the installed `itwinai` package adding the `dev` extra: + +.. code-block:: bash + + pip install -e .[dev] + + +**Test with `pytest`** +To run tests on itwinai package: + +.. code-block:: bash + + # Activate env + micromamba activate ./.venv-pytorch # or ./.venv-tf + + pytest -v -m "not slurm" tests/ + + +However, some tests are intended to be executed only on HPC systems, where SLURM is available. They are marked with "slurm" tags. To run these tests, use the dedicated job script: + +.. code-block:: bash + + sbatch tests/slurm_tests_startscript + + # Upon completion, check the output: + cat job.err + cat job.out + + + + diff --git a/docs/hpc_setup.rst b/docs/hpc_setup.rst new file mode 100644 index 00000000..607c876c --- /dev/null +++ b/docs/hpc_setup.rst @@ -0,0 +1,69 @@ +.. 🌐 HPC systems +.. --------------- +How to use torch `DistributedDataParallel` (DDP), Horovod and DeepSpeed from the same client code. +Note that the environment is tested on the HDFML system at JSC. For other systems, the module versions might need change accordingly. + + +.. toctree:: + :maxdepth: 5 + + +Environments +++++++++++++ + +Install PyTorch env (GPU support) on Juelich Super Computer (tested on HDFML system) + +.. code-block:: bash + + torch-gpu-jsc: env-files/torch/createEnvJSC.sh + sh env-files/torch/createEnvJSC.sh + + +Install Tensorflow env (GPU support) on Juelich Super Computer (tested on HDFML system) + +.. code-block:: bash + + tf-gpu-jsc: env-files/tensorflow/createEnvJSCTF.sh + sh env-files/tensorflow/createEnvJSCTF.sh + + + +Setup ++++++ + +First, from the root of this `repository `_, build the environment containing pytorch, horovod and deepspeed. You can try with: + +.. code-block:: bash + + # Creates a Python venv called envAI_hdfml + make torch-gpu-jsc + + +Distributed training +++++++++++++++++++++ + +Each distributed strategy has its own SLURM job script, which should be used to run it: + +If you want to distribute the code in `train.py` with **torch DDP**, run from terminal: + +.. code-block:: bash + + sbatch ddp_slurm.sh + +If you want to distribute the code in `train.py` with **DeepSpeed**, run from terminal: + +.. code-block:: bash + + sbatch deepspeed_slurm.sh + +If you want to distribute the code in `train.py` with **Horovod**, run from terminal: + +.. code-block:: bash + + sbatch hvd_slurm.sh + +You can run all of them with: + +.. code-block:: bash + + bash runall.sh \ No newline at end of file diff --git a/docs/index.md b/docs/index.md deleted file mode 100644 index ae78ffa7..00000000 --- a/docs/index.md +++ /dev/null @@ -1,64 +0,0 @@ ---- -title: Overview -layout: home -nav_order: 1 ---- - -# Overview - -Welcome to the `itwinai` docs! A framework for advanced AI/ML workflows in digital twins (DTs). - -Below we you are going to find an overview of interTwin's AI/ML workflows component. This platform -is intended to support general-purpose MLOps for digital twin use cases in [interTwin](https://www.intertwin.eu/) project. - -> Beware! As the code is frequently changed, the docs are unstable and may not reflect the actual state of the code base. -> Therefore, if you are looking for a more stable version, check out our -> [releases](https://github.com/interTwin-eu/T6.5-AI-and-ML/releases). - -Additional resources include: - -- Detailed instructions on [How to use this software](docs/How-to-use-this-software). -- Roadmap towards a prototype for T6.5 AI workflows for -digital twins here: [Prototype for T6.5](https://github.com/interTwin-eu/T6.5-AI-and-ML/wiki/Prototype-for-T6.5). - -## Platform for machine learning workflows in digital twins - -The goal of this platform is to provide ML researchers with an easy-to-use endpoint -to manage general-purpose machine learning (ML) workflows, with limited engineering overhead, -while providing state-of-the-art MLOps best practices. - -We call this platform `itwinai`. - -The user is going to provide as input a set of configuration files, to fully -describe ML workflows, in the context of digital twin (DT) applications. -`itwinai` platform instantiates ML workflows with the configurations -provided by the DT developer. The execution of ML workflows produces as output a -set of ML metrics, which are visualized by `itwinai` via -[MLFlow](https://mlflow.org/). -As a result of ML training, the best model (on validation dataset) -is saved to the *Models Registry* for future predictions. - -![image](docs/img/user-platform%20interaction%20full.png) - -### Simulating a whole DT workflow - -A DT workflow is more than ML. Generally speaking, MLOps -(i.e., ML model lifecycle management), -can be considered just as a step of a larger DT workflow. - -![image](docs/img/cwl-workflow.png) - -In `itwinai` platform, we focus mainly on the MLOps step, simulating or oversimplifying all the rest -(e.g., pre-processing, authentication, workflow execution). - -For further details on how to define a DT workflow in `itwinai`, follow [this guide](docs/How-to-use-this-software#2-define-a-dt-workflow). - -### How to integrate a new use case - -To integrate an existing use case in this platform, the ML engineer rewrites -the ML experiments according to a format supported by `itwinai`. -Some examples can be found by looking at the use cases -already integrated [here](docs/use-cases/index), located under `use-cases/` -in the code repository. - -A detailed guide on how to integrate a new use case in `itwinai` can be found [here](docs/How-to-use-this-software). diff --git a/docs/index.rst b/docs/index.rst new file mode 100644 index 00000000..82b192f8 --- /dev/null +++ b/docs/index.rst @@ -0,0 +1,70 @@ +.. itwinai documentation master file, created by + sphinx-quickstart on Fri Feb 9 13:58:30 2024. + You can adapt this file completely to your liking, but it should at least + contain the root `toctree` directive. + +🚧 UNDER CONSTRUCTION 🚧 +========================= + +Welcome to itwinai's documentation! +=================================== + +``itwinai`` is a framework for advanced AI/ML workflows in Digital Twins (DTs). + +This platform is intended to support general-purpose MLOps for Digital Twin use cases in the `interTwin `_ project. + +Platform for machine learning workflows in digital twins +++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + +The goal of this platform is to provide ML researchers with an easy-to-use endpoint to manage general-purpose ML workflows, +with limited engineering overhead, while providing state-of-the-art MLOps best practices. + +The user can fully describe ML workflows for DT applications by providing a set of configuration files as input. +The ``itwinai`` platform instantiates ML workflows with the configurations provided by the DT developer. +The execution of ML workflows outputs a set of ML metrix, which are visualised by ``itwinai`` via `MLFlow `_. +The trained ML model that performed best on the validation dataset is saved to the Models Registry for future predictions. + +In ``itwinai`` platform, we focus mainly on the MLOps step, simulating or oversimplifying the rest (e.g., pre-processing, authentication, workflow execution). + + +.. toctree:: + :maxdepth: 2 + :hidden: + :caption: 💡 Installation + + getting_started_with_itwinai + +.. toctree:: + :maxdepth: 2 + :hidden: + :caption: 🪄 itwinai Modules + + modules + +.. toctree:: + :maxdepth: 2 + :hidden: + :caption: 📚 Integrated Use-cases + + use_cases + +.. toctree:: + :maxdepth: 2 + :hidden: + :caption: 🚀 Tutorials + + tutorials + + +`interTwin Demo: itwinai integration with other DTE modules `_ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + + +Indices and tables +================== + +* :ref:`genindex` +* :ref:`modindex` + +.. * :ref:`search` + diff --git a/docs/intermediate_workflow.rst b/docs/intermediate_workflow.rst new file mode 100644 index 00000000..860b12e5 --- /dev/null +++ b/docs/intermediate_workflow.rst @@ -0,0 +1,20 @@ +Intermediate workflow +===================== + +tutorial_1_intermediate_workflow.py ++++++++++++++++++++++++++++++++++++ + +The `tutorial_1_intermediate_workflow.py` script is ... + +.. .. literalinclude:: ../use-cases/mnist/torch-lightning/dataloader.py +.. :language: python + +.. .. automodule:: tutorial_1_intermediate_workflow +.. :members: +.. :undoc-members: +.. :show-inheritance: + + +.. literalinclude:: ../tutorials/ml-workflows/tutorial_1_intermediate_workflow.py + :language: python + diff --git a/docs/itwinai.cli.rst b/docs/itwinai.cli.rst new file mode 100644 index 00000000..18e0d0ef --- /dev/null +++ b/docs/itwinai.cli.rst @@ -0,0 +1,7 @@ +itwinai.cli +=========== + +.. automodule:: itwinai.cli + :members: + :undoc-members: + :show-inheritance: diff --git a/docs/itwinai.cluster.rst b/docs/itwinai.cluster.rst new file mode 100644 index 00000000..7360c981 --- /dev/null +++ b/docs/itwinai.cluster.rst @@ -0,0 +1,7 @@ +itwinai.cluster +=============== + +.. automodule:: itwinai.cluster + :members: + :undoc-members: + :show-inheritance: diff --git a/docs/itwinai.components.rst b/docs/itwinai.components.rst new file mode 100644 index 00000000..db3b0956 --- /dev/null +++ b/docs/itwinai.components.rst @@ -0,0 +1,8 @@ +itwinai.components +================== + +.. automodule:: itwinai.components + :members: + :undoc-members: + :show-inheritance: + diff --git a/docs/itwinai.loggers.rst b/docs/itwinai.loggers.rst new file mode 100644 index 00000000..513e3942 --- /dev/null +++ b/docs/itwinai.loggers.rst @@ -0,0 +1,8 @@ +itwinai.loggers +=============== + +.. automodule:: itwinai.loggers + :members: + :undoc-members: + :show-inheritance: + diff --git a/docs/itwinai.parser.rst b/docs/itwinai.parser.rst new file mode 100644 index 00000000..f9c7d930 --- /dev/null +++ b/docs/itwinai.parser.rst @@ -0,0 +1,8 @@ +itwinai.parser +============== + +.. automodule:: itwinai.parser + :members: + :undoc-members: + :show-inheritance: + diff --git a/docs/itwinai.pipeline.rst b/docs/itwinai.pipeline.rst new file mode 100644 index 00000000..b849240e --- /dev/null +++ b/docs/itwinai.pipeline.rst @@ -0,0 +1,8 @@ +itwinai.pipeline +================ + +.. automodule:: itwinai.pipeline + :members: + :undoc-members: + :show-inheritance: + diff --git a/docs/itwinai.serialization.rst b/docs/itwinai.serialization.rst new file mode 100644 index 00000000..691a3721 --- /dev/null +++ b/docs/itwinai.serialization.rst @@ -0,0 +1,8 @@ +itwinai.serialization +===================== + +.. automodule:: itwinai.serialization + :members: + :undoc-members: + :show-inheritance: + diff --git a/docs/itwinai.tf.modules.rst b/docs/itwinai.tf.modules.rst new file mode 100644 index 00000000..8b923bea --- /dev/null +++ b/docs/itwinai.tf.modules.rst @@ -0,0 +1,26 @@ +itwinai Tensorflow Modules +========================== + +trainer.py +++++++++++ + +.. literalinclude:: ../src/itwinai/tensorflow/trainer.py + :language: python + +utils.py +++++++++ + +.. literalinclude:: ../src/itwinai/tensorflow/utils.py + :language: python + + +.. .. automodule:: itwinai.tensorflow.trainer +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: itwinai.tensorflow.utils +.. :members: +.. :undoc-members: +.. :show-inheritance: + diff --git a/docs/itwinai.torch.modules.rst b/docs/itwinai.torch.modules.rst new file mode 100644 index 00000000..d551af40 --- /dev/null +++ b/docs/itwinai.torch.modules.rst @@ -0,0 +1,72 @@ +itwinai PyTorch Modules +======================= + +cluster.py +++++++++++ + +.. literalinclude:: ../src/itwinai/torch/cluster.py + :language: python + +inference.py +++++++++++++ + +.. literalinclude:: ../src/itwinai/torch/inference.py + :language: python + +mlflow.py ++++++++++ + +.. literalinclude:: ../src/itwinai/torch/mlflow.py + :language: python + +trainer.py +++++++++++ + +.. literalinclude:: ../src/itwinai/torch/trainer.py + :language: python + +types.py +++++++++ + +.. literalinclude:: ../src/itwinai/torch/types.py + :language: python + +utils.py +++++++++ + +.. literalinclude:: ../src/itwinai/torch/utils.py + :language: python + + + +.. .. automodule:: itwinai.torch.cluster +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: itwinai.torch.inference +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: itwinai.torch.mlflow +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: itwinai.torch.trainer +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: itwinai.torch.types +.. :members: +.. :undoc-members: +.. :show-inheritance: + +.. .. automodule:: itwinai.torch.utils +.. :members: +.. :undoc-members: +.. :show-inheritance: + + diff --git a/docs/itwinai.types.rst b/docs/itwinai.types.rst new file mode 100644 index 00000000..20367596 --- /dev/null +++ b/docs/itwinai.types.rst @@ -0,0 +1,8 @@ +itwinai.types +============= + +.. automodule:: itwinai.types + :members: + :undoc-members: + :show-inheritance: + diff --git a/docs/itwinai.utils.rst b/docs/itwinai.utils.rst new file mode 100644 index 00000000..b487da7f --- /dev/null +++ b/docs/itwinai.utils.rst @@ -0,0 +1,8 @@ +itwinai.utils +============= + +.. automodule:: itwinai.utils + :members: + :undoc-members: + :show-inheritance: + diff --git a/docs/local_setup.rst b/docs/local_setup.rst new file mode 100644 index 00000000..72b5f377 --- /dev/null +++ b/docs/local_setup.rst @@ -0,0 +1,210 @@ +.. 💻 Local systems +.. ----------------- + +**Requirements** + +* Linux environment. +* Windows and macOS were never tested. + + +.. toctree:: + :maxdepth: 5 + + +Micromamba installation ++++++++++++++++++++++++ + +To manage Conda environments we use micromamba, a light weight version of conda. + +It is suggested to refer to the `Manual installation guide `_. + +Consider that Micromamba can eat a lot of space when building environments because packages are cached on +the local filesystem after being downloaded. To clear cache you can use `micromamba clean -a`. +Micromamba data are kept under the `$HOME` location. However, in some systems, `$HOME` has a limited storage +space and it would be cleverer to install Micromamba in another location with more storage space. +Thus by changing the `$MAMBA_ROOT_PREFIX` variable. See a complete installation example for Linux below, where the +default `$MAMBA_ROOT_PREFIX` is overridden: + + +.. code-block:: bash + + cd $HOME + + # Download micromamba (This command is for Linux Intel (x86_64) systems. Find the right one for your system!) + curl -Ls https://micro.mamba.pm/api/micromamba/linux-64/latest | tar -xvj bin/micromamba + + # Install micromamba in a custom directory + MAMBA_ROOT_PREFIX='my-mamba-root' + ./bin/micromamba shell init $MAMBA_ROOT_PREFIX + + # To invoke micromamba from Makefile, you need to add explicitly to $PATH + echo 'PATH="$(dirname $MAMBA_EXE):$PATH"' >> ~/.bashrc + +**Reference**: `Micromamba installation guide `_. + + +Environment setup ++++++++++++++++++ + +**Requirements:** + +* Linux environment. Windows and macOS were never tested. +* Micromamba: see the installation instructions above. +* VS Code, for development. + +Tensorflow +++++++++++ + +Installation: + +.. code-block:: bash + + # Install TensorFlow 2.13 + make tf-2.13 + + # Activate env + micromamba activate ./.venv-tf + +Other TF versions are available, using the following targets `tf-2.10`, and `tf-2.11`. + + +PyTorch (+ Lightning) ++++++++++++++++++++++ + +Installation: + +.. code-block:: bash + + # Install PyTorch + lightning + make torch-gpu + + # Activate env + micromamba activate ./.venv-pytorch + +Other also CPU-only version is available at the target `torch-cpu`. + + +Development environment ++++++++++++++++++++++++ + +This is for developers only. To have it, update the installed `itwinai` package adding the `dev` extra: + +.. code-block:: bash + + pip install -e .[dev] + + +**Test with `pytest`** +To run tests on itwinai package: + +.. code-block:: bash + + # Activate env + micromamba activate ./.venv-pytorch # or ./.venv-tf + + pytest -v -m "not slurm" tests/ + + +However, some tests are intended to be executed only on an HPC system, where SLURM is available. They are marked with "slurm" tag. To run also those tests, use the dedicated job script: + +.. code-block:: bash + + sbatch tests/slurm_tests_startscript + + # Upon completion, check the output: + cat job.err + cat job.out + + + + +.. Workflow orchestrator +.. +++++++++++++++++++++ + +.. Install the (custom) orchestrator virtual environment. + +.. .. code-block:: bash + +.. source ~/.bashrc +.. # Create local env +.. make + +.. # Activate env +.. micromamba activate ./.venv + +.. To run tests on workflows use: + +.. .. code-block:: bash + +.. # Activate env +.. micromamba activate ./.venv + +.. pytest tests/ + + +.. Development env setup +.. --------------------- + +.. Requirements: + +.. * Linux, macOS environment. Windows was never tested. +.. * Micromamba: see the installation instructions above. +.. * VS Code, for development. + +.. Installation: + +.. .. code-block:: bash + +.. make dev-env + +.. # Activate env +.. micromamba activate ./.venv-dev + +.. To run tests on itwinai package: + +.. .. code-block:: bash + +.. # Activate env +.. micromamba activate ./.venv-dev + +.. pytest tests/ai/ + + +.. AI environment setup +.. -------------------- + +.. Requirements: + +.. * Linux, macOS environment. Windows was never tested. +.. * Micromamba: see the installation instructions above. +.. * VS Code, for development. + +.. **NOTE**: this environment gets automatically setup when a workflow is executed! + +.. However, you can also set it up explicitly with: + +.. .. code-block:: bash + +.. make ai-env + +.. # Activate env +.. micromamba activate ./ai/.venv-pytorch + +.. Updating the environment files +.. ++++++++++++++++++++++++++++++ + +.. The files under `ai/env-files/` are of two categories: + +.. * Simple environment definition, such as `pytorch-env.yml` and `pytorch-env-gpu.yml` +.. * Lockfiles, such as `pytorch-lock.yml` and `pytorch-gpu-lock.yml`, generated by `conda-lock `_. + +.. **When you install the ai environment, install it from the lock file!** + +.. When the "simple" environment file (e.g., `pytorch-env.yml`) changes, lock it with `conda-lock `_: + +.. .. code-block:: bash + +.. micromamba activate ./.venv + +.. make lock-ai + diff --git a/docs/make.bat b/docs/make.bat new file mode 100644 index 00000000..32bb2452 --- /dev/null +++ b/docs/make.bat @@ -0,0 +1,35 @@ +@ECHO OFF + +pushd %~dp0 + +REM Command file for Sphinx documentation + +if "%SPHINXBUILD%" == "" ( + set SPHINXBUILD=sphinx-build +) +set SOURCEDIR=. +set BUILDDIR=_build + +%SPHINXBUILD% >NUL 2>NUL +if errorlevel 9009 ( + echo. + echo.The 'sphinx-build' command was not found. Make sure you have Sphinx + echo.installed, then set the SPHINXBUILD environment variable to point + echo.to the full path of the 'sphinx-build' executable. Alternatively you + echo.may add the Sphinx directory to PATH. + echo. + echo.If you don't have Sphinx installed, grab it from + echo.https://www.sphinx-doc.org/ + exit /b 1 +) + +if "%1" == "" goto help + +%SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O% +goto end + +:help +%SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O% + +:end +popd diff --git a/docs/mnist_doc.rst b/docs/mnist_doc.rst new file mode 100644 index 00000000..fd26c4e7 --- /dev/null +++ b/docs/mnist_doc.rst @@ -0,0 +1,151 @@ +MNIST +===== + +This section covers the MNIST use case, which utilizes the `torch-lightning` framework for training and evaluation. The following files are integral to this use case: + +torch-lightning +--------------- + +.. toctree:: + :maxdepth: 5 + +dataloader.py ++++++++++++++ + +The `dataloader.py` script is responsible for loading the MNIST dataset and preparing it for training. + +.. literalinclude:: ../use-cases/mnist/torch-lightning/dataloader.py + :language: python + +.. .. automodule:: torch-lightning.dataloader +.. :members: +.. :undoc-members: +.. :show-inheritance: + +pipeline.yaml ++++++++++++++ + +This YAML file defines the pipeline configuration for the MNIST use case. It includes settings for the model, training, and evaluation. + +.. literalinclude:: ../use-cases/mnist/torch-lightning/pipeline.yaml + :language: yaml + +startscript ++++++++++++ + +The `startscript` is a shell script to initiate the training process. It sets up the environment and starts the training using the `train.py` script. + +.. literalinclude:: ../use-cases/mnist/torch-lightning/startscript + :language: bash + +train.py +++++++++ + +This script contains the training loop and is where the model is trained using the data prepared by `dataloader.py`. + +.. literalinclude:: ../use-cases/mnist/torch-lightning/train.py + :language: python + +.. .. automodule:: torch-lightning.train +.. :members: +.. :undoc-members: +.. :show-inheritance: + +trainer.py +++++++++++ + +The `trainer.py` file defines the `Trainer` class which sets up the training parameters and the training process. + +.. literalinclude:: ../use-cases/mnist/torch-lightning/trainer.py + :language: python + +.. .. automodule:: torch-lightning.trainer +.. :members: +.. :undoc-members: +.. :show-inheritance: + +utils.py +++++++++ + +The `utils.py` script includes utility functions and classes that are used across the MNIST use case. + +.. literalinclude:: ../use-cases/mnist/torch-lightning/utils.py + :language: python + +.. .. automodule:: torch-lightning.utils +.. :members: +.. :undoc-members: +.. :show-inheritance: + + +This section covers the MNIST use case, which utilizes the `torch` framework for training and evaluation. The following files are integral to this use case: + +torch +----- + +.. toctree:: + :maxdepth: 5 + +dataloader.py ++++++++++++++ + +The `dataloader.py` script is responsible for loading the MNIST dataset and preparing it for training. + +.. literalinclude:: ../use-cases/mnist/torch/dataloader.py + :language: python + + +Dockerfile +++++++++++ + +.. literalinclude:: ../use-cases/mnist/torch/Dockerfile + :language: bash + + +inference-pipeline.yaml ++++++++++++++++++++++++ + +This YAML file defines the pipeline configuration for the MNIST use case inference. + +.. literalinclude:: ../use-cases/mnist/torch/inference-pipeline.yaml + :language: yaml + +model.py +++++++++ + +The `model.py` script is responsible for loading a simple model. + +.. literalinclude:: ../use-cases/mnist/torch/model.py + :language: python + +pipeline.yaml ++++++++++++++ + +This YAML file defines the pipeline configuration for the MNIST use case. It includes settings for the model, training, and evaluation. + +.. literalinclude:: ../use-cases/mnist/torch/pipeline.yaml + :language: yaml + +startscript ++++++++++++ + +The `startscript` is a shell script to initiate the training process. It sets up the environment and starts the training using the `train.py` script. + +.. literalinclude:: ../use-cases/mnist/torch/startscript + :language: bash + +train.py +++++++++ + +This script contains the training loop and is where the model is trained using the data prepared by `dataloader.py`. + +.. literalinclude:: ../use-cases/mnist/torch/train.py + :language: python + +saver.py +++++++++ +... + +.. literalinclude:: ../use-cases/mnist/torch/saver.py + :language: python + diff --git a/docs/modules.rst b/docs/modules.rst new file mode 100644 index 00000000..a9e96c97 --- /dev/null +++ b/docs/modules.rst @@ -0,0 +1,23 @@ +itwinai +======= + +.. toctree:: + :maxdepth: 4 + + itwinai.cli + itwinai.cluster + itwinai.components + itwinai.loggers + itwinai.parser + itwinai.pipeline + itwinai.serialization + itwinai.types + itwinai.utils + + +.. toctree:: + :maxdepth: 4 + + itwinai.tf.modules + itwinai.torch.modules + diff --git a/docs/requirements.txt b/docs/requirements.txt new file mode 100644 index 00000000..31776555 --- /dev/null +++ b/docs/requirements.txt @@ -0,0 +1,185 @@ +absl-py==1.2.0 +alabaster==0.7.16 +alembic==1.8.1 +antlr4-python3-runtime==4.9.3 +anyio +appdirs==1.4.4 +arrow +attrs +autopage==0.5.1 +Babel==2.14.0 +backports.functools-lru-cache +beautifulsoup4 +blessed +blinker==1.6.3 +Brotli +build +CacheControl +certifi==2023.7.22 +cffi +charset-normalizer +cleo +click +cliff==4.0.0 +cloudpickle==2.2.1 +cmaes==0.8.2 +cmd2==2.4.2 +colorama +colorlog==6.7.0 +crashtest +croniter +cryptography +cycler==0.12.1 +databricks-cli==0.18.0 +dateutils +deepdiff +distlib +docker==6.1.3 +docker-pycreds==0.4.0 +docstring-parser==0.15 +docutils==0.20.1 +dulwich +einops==0.4.1 +entrypoints==0.4 +exceptiongroup +fastapi +filelock +Flask==2.3.3 +fonttools==4.37.4 +fsspec +gast==0.4.0 +gitdb==4.0.9 +GitPython==3.1.27 +google==3.0.0 +greenlet==1.1.3 +gunicorn==21.2.0 +h11 +h5py==3.7.0 +idna +imagesize==1.4.1 +importlib-metadata==5.0.0 +importlib-resources +inquirer +installer +itsdangerous +git+https://github.com/interTwin-eu/itwinai.git@a8f9ccb035c7736553eaafb12e06fd7b3fc73fb6#egg=itwinai +jaraco.classes +jeepney +Jinja2 +joblib==1.3.2 +jsonargparse==4.26.1 +jsonschema +keyring +kiwisolver==1.4.5 +libclang==14.0.6 +lightning +lightning-cloud +lightning-utilities +Mako==1.2.3 +Markdown==3.5 +markdown-it-py +MarkupSafe==2.1.1 +matplotlib==3.5.2 +mdurl +mlflow==2.7.1 +more-itertools +msgpack +mysqlclient==2.1.1 +numpy +oauthlib==3.2.2 +omegaconf==2.3.0 +optuna==2.10.1 +ordered-set +orjson +packaging +pandas==2.1.1 +pathtools==0.1.2 +pexpect +Pillow +pkginfo +pkgutil_resolve_name +platformdirs +plotly==5.10.0 +poetry +poetry-core +poetry-plugin-export +promise==2.3 +protobuf==4.24.4 +psutil +ptyprocess +pyarrow==13.0.0 +pycparser +pydantic +Pygments +PyJWT +PyMySQL==1.0.2 +pyparsing==3.1.1 +pyperclip==1.8.2 +pyproject_hooks +pyrsistent +PySocks +python-dateutil +python-editor==1.0.4 +python-multipart +pytorch-lightning +pytz +PyYAML +querystring-parser==1.2.4 +rapidfuzz +readchar +requests +requests-toolbelt +rich +scikit-learn==1.3.2 +scipy==1.12.0 +SecretStorage +sentry-sdk==1.9.10 +setproctitle==1.3.2 +shellingham +shortuuid==1.0.9 +six +smmap==5.0.0 +sniffio +snowballstemmer==2.2.0 +soupsieve +Sphinx==7.2.6 +sphinx-rtd-theme==2.0.0 +sphinxcontrib-applehelp==1.0.8 +sphinxcontrib-devhelp==1.0.6 +sphinxcontrib-htmlhelp==2.0.5 +sphinxcontrib-jquery==4.1 +sphinxcontrib-jsmath==1.0.1 +sphinxcontrib-qthelp==1.0.7 +sphinxcontrib-serializinghtml==1.1.10 +SQLAlchemy==1.4.41 +sqlparse==0.4.4 +starlette +starsessions +submitit==1.5.0 +tabulate==0.9.0 +tenacity==8.1.0 +tensorflow-io-gcs-filesystem==0.27.0 +threadpoolctl==3.2.0 +tomli +tomlkit +torch==1.13.1 +torchaudio==0.13.1 +torchmetrics +torchvision==0.14.1 +tqdm +traitlets +trove-classifiers +typer==0.9.0 +types-python-dateutil +typeshed-client==2.4.0 +typing_extensions==4.5.0 +tzdata==2023.3 +urllib3 +uvicorn +virtualenv +wandb==0.15.12 +wcwidth +websocket-client +websockets +Werkzeug==3.0.0 +zipp diff --git a/docs/tutorials.rst b/docs/tutorials.rst new file mode 100644 index 00000000..623582f2 --- /dev/null +++ b/docs/tutorials.rst @@ -0,0 +1,19 @@ +.. _tutorials: + +ML workflow tutorials +===================== + +Here you can find a collection of tutorials for various complexity ML workflows. + +Tutorials +--------- + +.. toctree:: + :maxdepth: 2 + + basic_comp + basic_workflow + intermediate_workflow + advanced_workflow + + \ No newline at end of file diff --git a/docs/use_cases.rst b/docs/use_cases.rst new file mode 100644 index 00000000..4a584702 --- /dev/null +++ b/docs/use_cases.rst @@ -0,0 +1,32 @@ +Integrated Use Cases +==================== + +Here you can find a collection of use cases including various projects. + +3DGAN CERN use case +------------------- + +The first ``interTwin`` use case integrated with ``itwinai`` framework is the DT for fast particle detector simulation. +3D Generative Adversarial Network (3DGAN) for generation of images of calorimeter depositions. +This project is based on the prototype `3DGAN `_ model developed at CERN and is implemented on PyTorch Lightning framework. + +.. toctree:: + :maxdepth: 2 + + 3dgan_doc + + +MNIST use case +-------------- + +MNIST image classification is used to provide an example on +how to define an end-to-end digital twin workflow with the ``itwinai`` software. + +.. toctree:: + :maxdepth: 2 + + mnist_doc + + + + diff --git a/use-cases/3dgan/__init__.py b/use-cases/3dgan/__init__.py new file mode 100644 index 00000000..079a8283 --- /dev/null +++ b/use-cases/3dgan/__init__.py @@ -0,0 +1 @@ +## This file can be empty but must be present \ No newline at end of file From 2479d0dbe4db578eaacb0b559e62ec2559796675 Mon Sep 17 00:00:00 2001 From: Matteo Bunino <48362942+matbun@users.noreply.github.com> Date: Tue, 30 Apr 2024 15:19:49 +0200 Subject: [PATCH 2/3] Distributed strategy launcher (#131) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit * ADD: distrib launcher mockup * REFACTOR: cluster env, strategy and launcher * ADD: Torch Elastic Launcher * ADD: info on env vars * ADD: distributed tooling and examples * new folder * UPDATE: distributed strategy setup * generalized for DDP and DS * add config file * UPDATE: kwargs * Update general_trainer.py * Update general_startscript * Update general_trainer.py * UPDATE .gitignore * Update distrib strategy * UPDATE torch distributed strategy classes * Updated docstrings * Small fixes * UPDATE docstrings * ADD deepespeed config loader * ADD first deepspeed tutorial draft * UPDATE DDP Dp distrib strategy * UPDATE horovod strategy * UPDATE tutorial on torch distributed strategies * UPDATE torch strategies tutorial * Update createEnvJSC.sh * Update hvd_slurm.sh * Update README.md * UPDATE distributed tutorial * Delete tutorials/distributed-ml/torch-ddp-deepspeed-horovod/0 * Fixes to deepspeed startscript * Update distributed.py * Update trainer.py * UPDATE tutorial * ADD draft MNIST tutorial * UPDATE DDP tutorial for MNIST * FIX small details * Update distributed.py * Added TF tutorials * Fixes to tutorials * Add files via upload * Update Makefile * Update README.md * UPDATE tutorials * UPDATE documentation and improve explainability * UPDATE SLURM scripts * FIX local rank mismatch * fixed distributed trainer in cyclones use case * UPDATE launcher * UPDATE linter * UPDATE format * FIX linter * FIX linter * Update workflow * UPDATE workflow * update * Update workflow * UPDATE super linter to v6 * UPDATE super linter to v6.3.0 * UPDATE super linter to slim * Cleanup * Update tfmirrored_slurm.sh * Update tfmirrored_slurm.sh * REMOVE workflows legacy * DELETE cyclegan use case * UPDATE dist training tutorials torch * RENAME folders with torch * DRAFT torch imagenet tutorial * UPDATE configuration * UPDATE imagenet tutorial * DRAFT scaling test * ADD scaling analysis report * FIX deepspeed micro batchsize * UPDATE data path * UPDATE checkpoint to avoid race conditions * UPDATE scalability report * UPDATE dataset path * Update createEnvJSC.sh * Update createEnvJSC.sh * Update createEnvJSC.sh * Update createEnvJSC.sh * Update createEnvJSC.sh * Update createEnvJSCTF.sh * Update README.md * Update README.md * JUBE benchmarks * Update createEnvJSC.sh * Update createEnvJSCTF.sh * ADD logy scale option * Extract JUBE tutorial * CLEANUP baselines * Log epoch time in real-time * FIX deepspeed dataloader for potential performances improvement * UPDATE SC bash severity * FIX deepspeed and horovod trainers * FIX some code checks * Unify redundant SLURM job scripts and configuration files * CLEANUP unused configuration * Reorg configurations * Refactor configurations and add documentation * Update README * ADD report image * Improve plot resolution * UPDATE scaling test * UPDATE launcher scripts * FIX linter * REMOVE jube tutorial * Restore ConfigParser * FIX type hinting * ADD dev dependencies * REMOVE experimental scripts * UPDATE scaling report * Add SLURM logs * Refactor log scale * Update scalability report * Unify SLURM logs per job * Update README.md * Update README.md * Update README.md * ADD itwinai installation * UPDATE torch distributed tutorial 0 * UPDATE torch distributed tutorials * REMOVE imagenet tutorial * ADD NonDistributedStrategy and create_dataloader method * CLEANUP older classes * Rename strategies * Simplify structure * ADD draft new torch trainer class * UPDATED torch trainer draft * UPDATE MNIST use case * INtegrate new trainer into MNIST use case * UPDATE structure: remove unused files and refactor tests * Tmp disable unused tests * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * Update action * FIX failing inference * Functiona tests (#133) * UPDATE tests * FIX errors * CLEANUP * Remove unused workflow --------- Co-authored-by: Mario Rüttgers Co-authored-by: r-sarma <126173968+r-sarma@users.noreply.github.com> Co-authored-by: r-sarma Co-authored-by: zoechbauer1 --- .github/linters/.jscpd.json | 3 +- .../{workflows-dt.yml => pytest.yml} | 4 +- README.md | 30 +- env-files/tensorflow/createEnvJSCTF.sh | 3 + src/itwinai/cli.py | 82 +- src/itwinai/cluster.py | 72 -- src/itwinai/components.py | 8 - src/itwinai/loggers.py | 31 +- src/itwinai/parser.py | 245 +--- src/itwinai/tensorflow/distributed.py | 16 +- src/itwinai/tensorflow/trainer.py | 27 +- src/itwinai/torch/cluster.py | 225 ---- src/itwinai/torch/distributed.py | 924 ++++++------- src/itwinai/torch/engine.py | 276 ---- src/itwinai/torch/inference.py | 3 +- src/itwinai/torch/mlflow.py | 2 + src/itwinai/torch/reproducibility.py | 48 + src/itwinai/torch/trainer.py | 1148 ++++++----------- src/itwinai/torch/types.py | 8 + src/itwinai/torch/utils.py | 84 -- src/itwinai/utils.py | 82 +- tests/components/test_components.py | 5 - tests/test_cli.py | 26 - tests/use-cases/conftest.py | 53 +- tests/use-cases/test_3dgan.py | 65 +- tests/use-cases/test_cyclones.py | 15 +- tests/use-cases/test_mnist.py | 88 +- .../torch-scaling-test/README.md | 15 +- .../torch-scaling-test/ddp_trainer.py | 7 +- .../torch-scaling-test/deepspeed_trainer.py | 9 +- .../torch-scaling-test/horovod_trainer.py | 7 +- .../torch-scaling-test/img/report.png | Bin 45730 -> 198864 bytes .../torch-scaling-test/itwinai_trainer.py | 51 +- .../torch-scaling-test/runall.sh | 46 +- .../torch-scaling-test/slurm.sh | 14 +- .../torch-scaling-test/utils.py | 34 - .../torch-tutorial-0-basics/README.md | 30 +- .../torch-tutorial-0-basics/ddp_slurm.sh | 66 - .../deepspeed_slurm.sh | 75 -- .../torch-tutorial-0-basics/hvd_slurm.sh | 60 - .../torch-tutorial-0-basics/runall.sh | 43 +- .../torch-tutorial-0-basics/slurm.sh | 117 ++ .../torch-tutorial-0-basics/train.py | 81 +- .../torch-tutorial-1-mnist/README.md | 30 +- .../torch-tutorial-1-mnist/config.yaml | 26 +- .../torch-tutorial-1-mnist/ddp_slurm.sh | 66 - .../torch-tutorial-1-mnist/deepspeed_slurm.sh | 74 -- .../torch-tutorial-1-mnist/hvd_slurm.sh | 60 - .../torch-tutorial-1-mnist/runall.sh | 43 +- .../torch-tutorial-1-mnist/slurm.sh | 116 ++ .../torch-tutorial-1-mnist/train.py | 542 +++----- .../torch-tutorial-2-imagenet/README.md | 47 - .../torch-tutorial-2-imagenet/config.yaml | 25 - .../torch-tutorial-2-imagenet/ddp_slurm.sh | 66 - .../deepspeed_slurm.sh | 74 -- .../torch-tutorial-2-imagenet/hvd_slurm.sh | 60 - .../torch-tutorial-2-imagenet/runall.sh | 6 - .../torch-tutorial-2-imagenet/scaling-test.sh | 11 - .../torch-tutorial-2-imagenet/train.py | 499 ------- tutorials/ml-workflows/basic_components.py | 6 - use-cases/3dgan/create_inference_sample.py | 23 + use-cases/3dgan/dataloader.py | 3 +- use-cases/3dgan/trainer.py | 6 - use-cases/cyclones/README.md | 12 + use-cases/cyclones/dataloader.py | 1 + use-cases/cyclones/trainer.py | 6 - use-cases/mnist/tensorflow/pipeline.yaml | 12 +- use-cases/mnist/tensorflow/trainer.py | 6 - use-cases/mnist/torch-lightning/README.md | 17 + .../{pipeline.yaml => config.yaml} | 4 +- use-cases/mnist/torch-lightning/dataloader.py | 2 +- use-cases/mnist/torch-lightning/train.py | 44 - use-cases/mnist/torch-lightning/trainer.py | 40 - use-cases/mnist/torch/Dockerfile | 6 +- use-cases/mnist/torch/README.md | 44 +- use-cases/mnist/torch/config.yaml | 99 ++ .../mnist/torch/create_inference_sample.py | 42 + use-cases/mnist/torch/dataloader.py | 2 +- use-cases/mnist/torch/inference-pipeline.yaml | 22 - use-cases/mnist/torch/pipeline.yaml | 56 - use-cases/mnist/torch/runall.sh | 39 + use-cases/mnist/torch/slurm.sh | 116 ++ use-cases/mnist/torch/train.py | 44 - 83 files changed, 2344 insertions(+), 4281 deletions(-) rename .github/workflows/{workflows-dt.yml => pytest.yml} (88%) delete 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use-cases/mnist/torch/config.yaml create mode 100644 use-cases/mnist/torch/create_inference_sample.py delete mode 100644 use-cases/mnist/torch/inference-pipeline.yaml delete mode 100644 use-cases/mnist/torch/pipeline.yaml create mode 100644 use-cases/mnist/torch/runall.sh create mode 100644 use-cases/mnist/torch/slurm.sh delete mode 100644 use-cases/mnist/torch/train.py diff --git a/.github/linters/.jscpd.json b/.github/linters/.jscpd.json index 1a035770..8a003c54 100644 --- a/.github/linters/.jscpd.json +++ b/.github/linters/.jscpd.json @@ -1,7 +1,6 @@ { "threshold": 2.0, "ignore": [ - "**/itwinai/loggers.py", - "**/itwinai/torch/engine.py" + "**/itwinai/loggers.py" ] } \ No newline at end of file diff --git a/.github/workflows/workflows-dt.yml b/.github/workflows/pytest.yml similarity index 88% rename from .github/workflows/workflows-dt.yml rename to .github/workflows/pytest.yml index 53a72e43..ecee2bc1 100644 --- a/.github/workflows/workflows-dt.yml +++ b/.github/workflows/pytest.yml @@ -1,10 +1,12 @@ --- -name: Test workflows +name: Unit and integration tests on: pull_request: branches: [main, dev] +# TODO: use container and set custom TORCH_ENV and TF_ENV env variables + jobs: test-itwinai: name: Test itwinai with pytest diff --git a/README.md b/README.md index dc9a60dc..ce8b6684 100644 --- a/README.md +++ b/README.md @@ -96,7 +96,35 @@ pip install -e .[dev] #### Test with `pytest` -To run tests on itwinai package: +Do this only if you are a developer wanting to test your code with pytest. + +First, you need to create virtual environments both for torch and tensorflow. +For instance, you can use: + +```bash +make torch-cpu +make make tf-2.13-cpu +``` + +To select the name of the torch and tf environments you can set the following +environment variables, which allow to run the tests in environments with +custom names which are different from `.venv-pytorch` and `.venv-tf`. + +```bash +export TORCH_ENV="my_torch_env" +export TF_ENV="my_tf_env" +``` + +Functional tests (marked with `pytest.mark.functional`) will be executed under +`/tmp/pytest` location to guarantee they are run in a clean environment. + +To run functional tests use: + +```bash +pytest -v tests/ -m "functional" +``` + +To run all tests on itwinai package: ```bash # Activate env diff --git a/env-files/tensorflow/createEnvJSCTF.sh b/env-files/tensorflow/createEnvJSCTF.sh index 8838347c..377940d4 100644 --- a/env-files/tensorflow/createEnvJSCTF.sh +++ b/env-files/tensorflow/createEnvJSCTF.sh @@ -104,5 +104,8 @@ if [ "$cont1" = true ] ; then pip3 install -r reqs_TF.txt --ignore-installed fi +# Install itwinai +pip install --upgrade pip +pip install -e .[dev] # eof diff --git a/src/itwinai/cli.py b/src/itwinai/cli.py index 275d853a..6c27d069 100644 --- a/src/itwinai/cli.py +++ b/src/itwinai/cli.py @@ -16,7 +16,7 @@ import typer -app = typer.Typer() +app = typer.Typer(pretty_exceptions_enable=False) @app.command() @@ -27,9 +27,6 @@ def scalability_report( plot_title: Annotated[Optional[str], typer.Option( help=("Plot name.") )] = None, - logy: Annotated[bool, typer.Option( - help=("Log scale on y axis.") - )] = False, skip_id: Annotated[Optional[int], typer.Option( help=("Skip epoch ID.") )] = None, @@ -43,15 +40,17 @@ def scalability_report( Example: >>> itwinai scalability-report --pattern="^epoch.+\\.csv$" --skip-id 0 \\ - >>> --plot-title "Some title" --logy --archive archive_name + >>> --plot-title "Some title" --archive archive_name """ # TODO: add max depth and path different from CWD import os import re + import glob import shutil import pandas as pd + import matplotlib import matplotlib.pyplot as plt - # import numpy as np + import numpy as np regex = re.compile(r'{}'.format(pattern)) combined_df = pd.DataFrame() @@ -83,7 +82,13 @@ def scalability_report( if plot_title is not None: fig.suptitle(plot_title) - for name in set(avg_times.name.values): + sp_up_ax.set_yscale("log") + sp_up_ax.set_xscale("log") + + markers = iter("ov^s*dXpD.+12348") + + series_names = sorted(set(avg_times.name.values)) + for name in series_names: df = avg_times[avg_times.name == name].drop(columns='name') # Debug @@ -104,32 +109,27 @@ def scalability_report( df["Efficiency"] = df["Threadscaled Sim. Time / s"].iloc[0] / \ df["Threadscaled Sim. Time / s"] - # Plot - # when lines are very close to each other - if logy: - sp_up_ax.semilogy( - df["NGPUs"].values, df["Speedup"].values, - marker='*', lw=1.0, label=name) - else: - sp_up_ax.plot( - df["NGPUs"].values, df["Speedup"].values, - marker='*', lw=1.0, label=name) - - if logy: - sp_up_ax.semilogy(df["NGPUs"].values, df["Speedup - ideal"].values, - ls='dashed', lw=1.0, c='k', label="ideal") - else: - sp_up_ax.plot(df["NGPUs"].values, df["Speedup - ideal"].values, - ls='dashed', lw=1.0, c='k', label="ideal") + sp_up_ax.plot( + df["NGPUs"].values, df["Speedup"].values, + marker=next(markers), lw=1.0, label=name, alpha=0.7) + + sp_up_ax.plot(df["NGPUs"].values, df["Speedup - ideal"].values, + ls='dashed', lw=1.0, c='k', label="ideal") sp_up_ax.legend(ncol=1) sp_up_ax.set_xticks(df["NGPUs"].values) - # sp_up_ax.set_yticks( - # np.arange(1, np.max(df["Speedup - ideal"].values) + 2, 1)) + sp_up_ax.get_xaxis().set_major_formatter( + matplotlib.ticker.ScalarFormatter()) sp_up_ax.set_ylabel('Speedup') sp_up_ax.set_xlabel('NGPUs (4 per node)') sp_up_ax.grid() + + # Sort legend + handles, labels = sp_up_ax.get_legend_handles_labels() + order = np.argsort(labels) + plt.legend([handles[idx] for idx in order], [labels[idx] for idx in order]) + plot_png = f"scaling_plot_{plot_title}.png" plt.tight_layout() plt.savefig(plot_png, bbox_inches='tight', format='png', dpi=300) @@ -151,6 +151,18 @@ def scalability_report( os.path.basename(csvfile))) shutil.copyfile(plot_png, os.path.join(archive, plot_png)) avg_times.to_csv(os.path.join(archive, "avg_times.csv"), index=False) + print("Archived AVG epoch times CSV") + + # Copy SLURM logs: *.err *.out files + if os.path.exists('logs_slurm'): + print("Archived SLURM logs") + shutil.copytree('logs_slurm', os.path.join(archive, 'logs_slurm')) + # Copy other SLURM logs + for ext in ['*.out', '*.err']: + for file in glob.glob(ext): + shutil.copyfile(file, os.path.join(archive, file)) + + # Create archive archive_name = shutil.make_archive( base_name=archive, # archive file name format='gztar', @@ -170,6 +182,11 @@ def exec_pipeline( help=("Key in the configuration file identifying " "the pipeline object to execute.") )] = "pipeline", + steps: Annotated[Optional[str], typer.Option( + help=("Run only some steps of the pipeline. Accepted values are " + "indices, python slices (e.g., 0:3 or 2:10:100), and " + "string names of steps.") + )] = None, print_config: Annotated[bool, typer.Option( help=("Print config to be executed after overrides.") )] = False, @@ -195,11 +212,14 @@ def exec_pipeline( # to find the local python files imported from the pipeline file import os import sys + import re + from .utils import str_to_slice sys.path.append(os.path.dirname(config)) sys.path.append(os.getcwd()) # Parse and execute pipeline from itwinai.parser import ConfigParser + overrides_list = overrides_list if overrides_list is not None else [] overrides = { k: v for k, v in map(lambda x: (x.split('=')[0], x.split('=')[1]), overrides_list) @@ -213,8 +233,18 @@ def exec_pipeline( print("#="*50) print() pipeline = parser.parse_pipeline(pipeline_nested_key=pipe_key) + if steps: + if not re.match(r"\d+(:\d+)?(:\d+)?", steps): + print(f"Looking for step name '{steps}'") + else: + steps = str_to_slice(steps) + pipeline = pipeline[steps] pipeline.execute() + # Cleanup PYTHONPATH + sys.path.pop() + sys.path.pop() + @app.command() def mlflow_ui( diff --git a/src/itwinai/cluster.py b/src/itwinai/cluster.py deleted file mode 100644 index 7b9f57e0..00000000 --- a/src/itwinai/cluster.py +++ /dev/null @@ -1,72 +0,0 @@ -"""Cluster environments where to run AI workflows.""" - -from __future__ import annotations -from abc import ABCMeta, abstractmethod -import os -from contextlib import contextmanager - - -def setup_for_distributed(is_main): - """ - This function disables printing when not in master process - """ - import builtins as __builtin__ - builtin_print = __builtin__.print - - def print(*args, **kwself): - force = kwself.pop('force', False) - if is_main or force: - builtin_print(*args, **kwself) - - __builtin__.print = print - - -def handle_sigusr1(signum, frame): - os.system(f'scontrol requeue {os.getenv("SLURM_JOB_ID")}') - exit() - - -def handle_sigterm(signum, frame): - pass - - -class ClusterEnvironment(metaclass=ABCMeta): - port: int = -1 - ngpus_per_node: int = -1 - global_world_size: int = -1 - global_rank: int = -1 - local_world_size: int = -1 - local_rank: int = -1 - rnd_seed: int = None - distributed: bool = False - # This flag tells whether the user wants to use the GPU(s) - use_cuda: bool = False - - @property - def backend(self) -> str: - return self._backend - - @backend.setter - def backend(self, backend_name: str) -> None: - self._set_backend(backend_name) - - def _set_backend(self, backend_name: str) -> None: - # Override to implement sanitization - self._backend = backend_name - - @abstractmethod - def is_main_worker(self) -> bool: - """Tells if the current process is the main/master process.""" - pass - - @abstractmethod - def is_cuda_available(self) -> bool: - pass - - @abstractmethod - @contextmanager - def init_dist_gpu(self, *args, **kwargs): - pass - - def cleanup_resources(self): - pass diff --git a/src/itwinai/components.py b/src/itwinai/components.py index 1f41bacd..eca2e570 100644 --- a/src/itwinai/components.py +++ b/src/itwinai/components.py @@ -216,14 +216,6 @@ def execute( validation dataset, test dataset, trained model. """ - @abstractmethod - def save_state(self): - pass - - @abstractmethod - def load_state(self): - pass - class Predictor(BaseComponent): """Applies a pre-trained machine learning model to unseen data.""" diff --git a/src/itwinai/loggers.py b/src/itwinai/loggers.py index d5ed0008..7f86ffcb 100644 --- a/src/itwinai/loggers.py +++ b/src/itwinai/loggers.py @@ -4,13 +4,12 @@ import csv from abc import ABCMeta, abstractmethod from contextlib import contextmanager -from typing import Any, Dict, List, Optional, Union +from typing import Any, Dict, List, Optional, Union, Literal import pickle import pathlib import wandb import mlflow -# import mlflow.keras BASE_EXP_NAME: str = 'unk_experiment' @@ -38,12 +37,12 @@ class Logger(LogMixin, metaclass=ABCMeta): """ savedir: str = None supported_types: List[str] # Supported logging 'kinds' - _log_freq: Union[int, str] + _log_freq: Union[int, Literal['epoch', 'batch']] def __init__( self, savedir: str = 'mllogs', - log_freq: Union[int, str] = 'epoch' + log_freq: Union[int, Literal['epoch', 'batch']] = 'epoch' ) -> None: self.savedir = savedir self.log_freq = log_freq @@ -120,7 +119,7 @@ class ConsoleLogger(Logger): def __init__( self, savedir: str = 'mllogs', - log_freq: Union[int, str] = 'epoch' + log_freq: Union[int, Literal['epoch', 'batch']] = 'epoch' ) -> None: savedir = os.path.join(savedir, 'simple-logger') super().__init__(savedir=savedir, log_freq=log_freq) @@ -190,7 +189,7 @@ def __init__( experiment_name: str = BASE_EXP_NAME, tracking_uri: Optional[str] = None, run_description: Optional[str] = None, - log_freq: Union[int, str] = 'epoch' + log_freq: Union[int, Literal['epoch', 'batch']] = 'epoch' ): savedir = os.path.join(savedir, 'mlflow') super().__init__(savedir=savedir, log_freq=log_freq) @@ -203,7 +202,7 @@ def __init__( saved_abs_path = os.path.abspath(self.savedir) self.tracking_uri = pathlib.Path(saved_abs_path).as_uri() # self.tracking_uri = "file://" + self.savedir - print(f'MLFLOW URI: {self.tracking_uri}') + # print(f'MLFLOW URI: {self.tracking_uri}') # TODO: for pytorch lightning: # mlflow.pytorch.autolog() @@ -317,7 +316,7 @@ def __init__( self, savedir: str = 'mllogs', project_name: str = BASE_EXP_NAME, - log_freq: Union[int, str] = 'epoch' + log_freq: Union[int, Literal['epoch', 'batch']] = 'epoch' ) -> None: savedir = os.path.join(savedir, 'wandb') super().__init__(savedir=savedir, log_freq=log_freq) @@ -376,7 +375,7 @@ class TensorBoardLogger(Logger): def __init__( self, savedir: str = 'mllogs', - log_freq: Union[int, str] = 'epoch' + log_freq: Union[int, Literal['epoch', 'batch']] = 'epoch' ) -> None: savedir = os.path.join(savedir, 'tensorboard') super().__init__(savedir=savedir, log_freq=log_freq) @@ -425,7 +424,7 @@ def __init__( self, loggers: List[Logger] ) -> None: - super().__init__(savedir='/.tmp_mllogs_LoggersCollection', log_freq=0) + super().__init__(savedir='/.tmp_mllogs_LoggersCollection', log_freq=1) self.loggers = loggers def should_log(self, batch_idx: int = None) -> bool: @@ -450,6 +449,18 @@ def log( **kwargs ) + def create_logger_context(self): + for logger in self.loggers: + logger.create_logger_context() + + def destroy_logger_context(self): + for logger in self.loggers: + logger.destroy_logger_context() + + def save_hyperparameters(self, params: Dict[str, Any]) -> None: + for logger in self.loggers: + logger.save_hyperparameters(params=params) + class EpochTimeTracker: def __init__(self, series_name: str, csv_file: str) -> None: diff --git a/src/itwinai/parser.py b/src/itwinai/parser.py index 0001627b..254e91a9 100644 --- a/src/itwinai/parser.py +++ b/src/itwinai/parser.py @@ -76,14 +76,11 @@ class ConfigParser: >>> init_args: >>> save_path: .tmp/ >>> - >>> - class_path: itwinai.torch.trainer.TorchTrainerMG + >>> - class_path: itwinai.torch.trainer.TorchTrainer >>> init_args: >>> model: >>> class_path: model.Net - >>> loss: - >>> class_path: torch.nn.NLLLoss - >>> init_args: - >>> reduction: mean + >>> >>> from itwinai.parser import ConfigParser >>> >>> parser = ConfigParser( @@ -244,241 +241,3 @@ def __init__( "-c", "--config", action=ActionConfigFile, help="Path to a configuration file in json or yaml format." ) - - -# class ConfigParser2: -# """ -# Deprecated: this pipeline structure does not allow for -# nested pipelines. However, it is more readable and the linking -# from name to step data could be achieved with OmegaConf. This -# could be reused in the future: left as example. - -# Parses a configuration file, merging the steps into -# the pipeline and returning a pipeline object. -# It also provides functionalities for dynamic override -# of fields by means of nested key notation. - -# Example: - -# >>> # pipeline.yaml -# >>> pipeline: -# >>> class_path: itwinai.pipeline.Pipeline -# >>> steps: [server, client] -# >>> -# >>> server: -# >>> class_path: mycode.ServerOptions -# >>> init_args: -# >>> host: localhost -# >>> port: 80 -# >>> -# >>> client: -# >>> class_path: mycode.ClientOptions -# >>> init_args: -# >>> url: http://${server.init_args.host}:${server.init_args.port}/ - -# >>> from itwinai.parser import ConfigParser2 -# >>> -# >>> parser = ConfigParser2( -# >>> config='pipeline.yaml', -# >>> override_keys={ -# >>> 'server.init_args.port': 777 -# >>> } -# >>> ) -# >>> pipeline = parser.parse_pipeline() -# >>> print(pipeline) -# >>> print(pipeline.steps) -# >>> print(pipeline.steps['server'].port) -# >>> -# >>> server = parser.parse_step('server') -# >>> print(server) -# >>> print(server.port) -# """ - -# config: Dict -# pipeline: Pipeline - -# def __init__( -# self, -# config: Union[str, Dict], -# override_keys: Optional[Dict[str, Any]] = None -# ) -> None: -# self.config = config -# self.override_keys = override_keys -# if isinstance(self.config, str): -# self.config = load_yaml(self.config) -# self._dynamic_override_keys() -# self._omegaconf_interpolate() - -# def _dynamic_override_keys(self): -# if self.override_keys is not None: -# for key_chain, value in self.override_keys.items(): -# add_replace_field(self.config, key_chain, value) - -# def _omegaconf_interpolate(self) -> None: -# """Performs variable interpolation with OmegaConf on internal -# configuration file. -# """ -# conf = OmegaConf.create(self.config) -# self.config = OmegaConf.to_container(conf, resolve=True) - -# def parse_pipeline( -# self, -# pipeline_nested_key: str = "pipeline", -# verbose: bool = False -# ) -> Pipeline: -# """Merges steps into pipeline and parses it. - -# Args: -# pipeline_nested_key (str, optional): nested key in the -# configuration file identifying the pipeline object. -# Defaults to "pipeline". -# verbose (bool): if True, prints the assembled pipeline -# to console formatted as JSON. - -# Returns: -# Pipeline: instantiated pipeline. -# """ -# pipe_parser = JAPArgumentParser() -# pipe_parser.add_subclass_arguments(Pipeline, pipeline_nested_key) -# pipe_dict = self.config[pipeline_nested_key] - -# # Pop steps list from pipeline dictionary -# steps_list = pipe_dict['steps'] -# del pipe_dict['steps'] - -# # Link steps with respective dictionaries -# if not pipe_dict.get('init_args'): -# pipe_dict['init_args'] = {} -# steps_dict = pipe_dict['init_args']['steps'] = {} -# for step_name in steps_list: -# steps_dict[step_name] = self.config[step_name] -# pipe_dict = {pipeline_nested_key: pipe_dict} - -# if verbose: -# print("Assembled pipeline:") -# print(json.dumps(pipe_dict, indent=4)) - -# # Parse pipeline dict once merged with steps -# conf = pipe_parser.parse_object(pipe_dict) -# pipe = pipe_parser.instantiate_classes(conf) -# self.pipeline = pipe[pipeline_nested_key] -# return self.pipeline - -# def parse_step( -# self, -# step_name: str, -# verbose: bool = False -# ) -> BaseComponent: -# step_dict_config = self.config[step_name] - -# if verbose: -# print(f"STEP '{step_name}' CONFIG:") -# print(json.dumps(step_dict_config, indent=4)) - -# # Wrap config under "step" field and parse it -# step_dict_config = {'step': step_dict_config} -# step_parser = JAPArgumentParser() -# step_parser.add_subclass_arguments(BaseComponent, "step") -# parsed_namespace = step_parser.parse_object(step_dict_config) -# return step_parser.instantiate_classes(parsed_namespace)["step"] - - -# class ItwinaiCLI2: -# """ -# Deprecated: the dynamic override does not work with nested parameters -# and may be confusing. - -# CLI tool for executing a configuration file, with dynamic -# override of fields and variable interpolation with Omegaconf. - -# Example: - -# >>> # train.py -# >>> from itwinai.parser import ItwinaiCLI -# >>> cli = ItwinaiCLI() -# >>> cli.pipeline.execute() - -# >>> # pipeline.yaml -# >>> pipeline: -# >>> class_path: itwinai.pipeline.Pipeline -# >>> steps: [server, client] -# >>> -# >>> server: -# >>> class_path: mycode.ServerOptions -# >>> init_args: -# >>> host: localhost -# >>> port: 80 -# >>> -# >>> client: -# >>> class_path: mycode.ClientOptions -# >>> init_args: -# >>> url: http://${server.init_args.host}:${server.init_args.port}/ - -# From command line: - -# >>> python train.py --config itwinai-conf.yaml --help -# >>> python train.py --config itwinai-conf.yaml -# >>> python train.py --config itwinai-conf.yaml --server.port 8080 -# """ -# _parser: JAPArgumentParser -# _config: Dict -# pipeline: Pipeline - -# def __init__( -# self, -# pipeline_nested_key: str = "pipeline", -# parser_mode: str = "omegaconf" -# ) -> None: -# self.pipeline_nested_key = pipeline_nested_key -# self.parser_mode = parser_mode -# self._init_parser() -# self._parser.add_argument(f"--{self.pipeline_nested_key}", type=dict) -# self._add_steps_arguments() -# self._config = self._parser.parse_args() - -# # Merge steps into pipeline and parse it -# del self._config['config'] -# pipe_parser = ConfigParser2(config=self._config.as_dict()) -# self.pipeline = pipe_parser.parse_pipeline( -# pipeline_nested_key=self.pipeline_nested_key -# ) - -# def _init_parser(self): -# self._parser = JAPArgumentParser(parser_mode=self.parser_mode) -# self._parser.add_argument( -# "-c", "--config", action=ActionConfigFile, -# required=True, -# help="Path to a configuration file in json or yaml format." -# ) - -# def _add_steps_arguments(self): -# """Pre-parses the configuration file, dynamically adding all the -# component classes under 'steps' as arguments of the parser. -# """ -# if "--config" not in sys.argv: -# raise ValueError( -# "--config parameter has to be specified with a " -# "valid path to a configuration file." -# ) -# config_path = sys.argv.index("--config") + 1 -# config_path = sys.argv[config_path] -# config = load_yaml(config_path) - -# # Add steps to parser -# steps = filter( -# lambda itm: itm[0] != self.pipeline_nested_key, -# config.items() -# ) -# steps = { -# step_name: step_data['class_path'] -# for step_name, step_data in steps -# } - -# for st_nested_key, step_class_str in steps.items(): -# step_class = dynamically_import_class(step_class_str) -# self._add_step_arguments( -# step_class=step_class, nested_key=st_nested_key) - -# def _add_step_arguments(self, step_class, nested_key): -# self._parser.add_subclass_arguments( -# baseclass=step_class, nested_key=nested_key) diff --git a/src/itwinai/tensorflow/distributed.py b/src/itwinai/tensorflow/distributed.py index e6c5f28a..64945ca8 100644 --- a/src/itwinai/tensorflow/distributed.py +++ b/src/itwinai/tensorflow/distributed.py @@ -1,17 +1,23 @@ -import tensorflow as tf import os +import tensorflow as tf +import tensorflow.distribute as dist def get_strategy(): """Strategy for distributed TensorFlow training""" - cluster_resolver = tf.distribute.cluster_resolver.SlurmClusterResolver( + if not os.environ.get('SLURM_JOB_ID'): + # TODO: improve + print('not in SLURM env!') + tf_dist_strategy = dist.MirroredStrategy() + return tf_dist_strategy, tf_dist_strategy.num_replicas_in_sync + cluster_resolver = dist.cluster_resolver.SlurmClusterResolver( port_base=12345) - implementation = tf.distribute.experimental.CommunicationImplementation.NCCL - communication_options = tf.distribute.experimental.CommunicationOptions( + implementation = dist.experimental.CommunicationImplementation.NCCL + communication_options = dist.experimental.CommunicationOptions( implementation=implementation) # declare distribution strategy - tf_dist_strategy = tf.distribute.MultiWorkerMirroredStrategy( + tf_dist_strategy = dist.MultiWorkerMirroredStrategy( cluster_resolver=cluster_resolver, communication_options=communication_options ) diff --git a/src/itwinai/tensorflow/trainer.py b/src/itwinai/tensorflow/trainer.py index d8c40012..51bfb97c 100644 --- a/src/itwinai/tensorflow/trainer.py +++ b/src/itwinai/tensorflow/trainer.py @@ -28,12 +28,19 @@ def instance_from_dict(obj_dict: Any) -> Any: return obj_dict +# TODO: the TF trainer is incomplete: +# - strategy is not received from constructor argument: if not needed, +# remove it +# - dataset is not distributed +# - much commented code that has to be removed or included + + class TensorflowTrainer(Trainer): def __init__( self, epochs, - train_dataset, - validation_dataset, + # train_dataset, + # validation_dataset, batch_size, callbacks, model_dict: Dict, @@ -61,14 +68,14 @@ def __init__( # get total number of workers print("Number of devices: {}".format(n_devices)) # distribute datasets among MirroredStrategy's replicas - dist_train_dataset = ( - tf_dist_strategy.experimental_distribute_dataset( - train_dataset - )) - dist_validation_dataset = ( - tf_dist_strategy.experimental_distribute_dataset( - validation_dataset - )) + # dist_train_dataset = ( + # tf_dist_strategy.experimental_distribute_dataset( + # train_dataset + # )) + # dist_validation_dataset = ( + # tf_dist_strategy.experimental_distribute_dataset( + # validation_dataset + # )) with self.strategy.scope(): # TODO: move loss, optimizer and metrics instantiation under # here diff --git a/src/itwinai/torch/cluster.py b/src/itwinai/torch/cluster.py deleted file mode 100644 index aece16e2..00000000 --- a/src/itwinai/torch/cluster.py +++ /dev/null @@ -1,225 +0,0 @@ -"""Cluster environments where to run AI workflows. Partially adapted from: -https://github.com/facebookresearch/detr/blob/master/util/misc.py and -https://github.com/ramyamounir/Template/blob/main/lib/utils/distributed.py -""" - -from __future__ import annotations -from typing import Optional -import os -import signal -import subprocess -from pathlib import Path -from contextlib import contextmanager - -import numpy as np - -import torch -import torch.distributed as dist -import torch.backends.cudnn as cudnn - -from ..cluster import ( - ClusterEnvironment, - setup_for_distributed, - handle_sigusr1, - handle_sigterm -) -from .types import TorchDistributedBackend as BackendT - - -def fix_random_seeds(seed=31): - """ - Fix random seeds. - """ - torch.manual_seed(seed) - torch.cuda.manual_seed_all(seed) - np.random.seed(seed) - - -class TorchCluster(ClusterEnvironment): - def __init__(self) -> None: - super().__init__() - - def _set_backend(self, backend_name: str) -> None: - if backend_name not in BackendT: - raise ValueError( - "Unrecognized 'backend' field. Allowed values " - f"are: {BackendT.list()}. Received '{backend_name}'") - self._backend = backend_name - - def is_cuda_available(self) -> bool: - return self.use_cuda and torch.cuda.is_available() - - def is_main_worker(self) -> bool: - """Checks if the current process is the main/master process - in the whole job. - """ - return self.global_rank == 0 - - def cleanup_resources(self): - dist.barrier() - dist.destroy_process_group() - - -class LocalCluster(TorchCluster): - """Simple single node cluster with optional access to multiple GPUs.""" - - def __init__( - self, - backend: Optional[str] = None, - gpus: Optional[str] = '', - port: int = 49153, - rnd_seed: Optional[int] = 42 - ) -> None: - """Initialize local cluster for multi-GPU access. - - Args: - backend (Optional[str], optional): supported PyTorch backends. - If None, workload is not distributed. Defaults to None. - gpus (Optional[str], optional): list of visible GPU devices - (e.g., '1,2,3'). If empty string uses all available GPUs. - If None, CPU is used. Defaults to ''. - port (int, optional): TCP port used by the master process. - Defaults to 49153. - rnd_seed (Optional[int], optional): random seed to be setup after - all processes are setup. Defaults to 42. - """ - super().__init__() - self.backend = backend - self.gpus = gpus - self.port = port - self.dist_url = f'tcp://127.0.0.1:{self.port}' - self.rnd_seed = rnd_seed - - if self.gpus != '' and self.gpus is not None: - # Restrict the number of GPUs visible according to user needs - os.environ['CUDA_VISIBLE_DEVICES'] = self.gpus - - self.ngpus_per_node = torch.cuda.device_count() - self.global_rank = 0 - self.global_world_size = self.ngpus_per_node - - print(f"{self.ngpus_per_node} GPUs are available.") - self.distributed = True - # This flag tells whether the user wants to use the GPU(s) - self.use_cuda = ( - self.gpus is not None # GPU is not manually disabled - and torch.cuda.device_count() >= 1 # At least one GPU is selected - ) - if self.backend is None or self.ngpus_per_node <= 1: - print("Distributed has been disabled.") - self.distributed = False - self.dist_url = None - self.global_world_size = 1 - self.global_rank = 0 - if not self.is_cuda_available(): - print("CUDA disabled... Running on single CPU.") - self.use_cuda = False - self.distributed = False - self.dist_url = None - self.global_world_size = 1 - self.global_rank = 0 - - # Since single node case - self.local_world_size = self.global_world_size - - @contextmanager - def init_dist_gpu(self, worker_id) -> torch.device: - if self.distributed: - torch.cuda.set_device(worker_id) - self.global_rank += worker_id - # print(f'GLOBAL RANK: {self.global_rank}') - # Since single node case - self.local_rank = self.global_rank - # Simplification: worker ID mapped to GPU ID - self.gpu_id = worker_id - - try: - dist.init_process_group( - backend=self.backend, - init_method=self.dist_url, - world_size=self.global_world_size, - rank=self.global_rank - ) - fix_random_seeds(self.rnd_seed) - torch.cuda.set_device(self.gpu_id) - cudnn.benchmark = True - dist.barrier() - - setup_for_distributed(self.is_main_worker()) - print("SETUP DISTRIBUTED COMPLETE") - yield torch.device('cuda', worker_id) - finally: - self.cleanup_resources() - else: - # Distributed is disabled - # Since single node case - self.global_rank = 0 - self.local_rank = self.global_rank - if self.use_cuda: - torch.cuda.set_device(worker_id) - yield torch.device('cuda', worker_id) - else: - yield torch.device('cpu') - - -class SLURMCluster(TorchCluster): - """SLURM cluster with access to multi-node multi-GPU.""" - - def __init__( - self, - port: int = 49153, - backend: str = 'gloo', - rnd_seed: Optional[int] = 42 - ) -> None: - super().__init__() - self.port = port - self.backend = backend - self.rnd_seed = rnd_seed - if 'SLURM_JOB_ID' not in os.environ: - raise RuntimeError( - "'SLURM_JOB_ID' environment variable is not set. " - "Perhaps you are not running in a slurm cluster?" - ) - - self.ngpus_per_node = torch.cuda.device_count() - - # requeue job on SLURM preemption - signal.signal(signal.SIGUSR1, handle_sigusr1) - signal.signal(signal.SIGTERM, handle_sigterm) - - # find a common host name on all nodes - cmd = 'scontrol show hostnames ' + os.getenv('SLURM_JOB_NODELIST') - stdout = subprocess.check_output(cmd.split()) - host_name = stdout.decode().splitlines()[0] - self.dist_url = f'tcp://{host_name}:{self.port}' - - # distributed parameters - self.global_rank = int(os.getenv('SLURM_NODEID')) * self.ngpus_per_node - self.global_world_size = int( - os.getenv('SLURM_NNODES')) * self.ngpus_per_node - - @contextmanager - def init_dist_gpu(self): - import submitit - try: - job_env = submitit.JobEnvironment() - self.output_dir = Path( - str(self.output_dir).replace("%j", str(job_env.job_id))) - self.gpu = job_env.local_rank - self.global_rank = job_env.global_rank - - dist.init_process_group( - backend=self.backend, - init_method=self.dist_url, - world_size=self.global_world_size, - rank=self.global_rank - ) - fix_random_seeds(self.rnd_seed) - torch.cuda.set_device(self.gpu) - cudnn.benchmark = True - dist.barrier() - - setup_for_distributed(self.is_main_worker()) - yield - finally: - self.cleanup_resources() diff --git a/src/itwinai/torch/distributed.py b/src/itwinai/torch/distributed.py index 34174346..3bb48647 100644 --- a/src/itwinai/torch/distributed.py +++ b/src/itwinai/torch/distributed.py @@ -1,5 +1,5 @@ import abc -from typing import Any, List, Optional, Tuple +from typing import Any, List, Optional, Tuple, Union, Iterable from pathlib import Path import json import os @@ -12,18 +12,47 @@ import torch.optim as optim from torch.optim.lr_scheduler import _LRScheduler as LRScheduler from torch.optim.optimizer import Optimizer +from torch.utils.data import Dataset, Sampler, DistributedSampler, DataLoader +from torch.utils.data.dataloader import T_co, _worker_init_fn_t, _collate_fn_t from ..distributed import DistributedStrategy +from .types import UninitializedStrategyError, DistributedStrategyError + + +def distributed_resources_available() -> bool: + """Check if the current execution environment + has (enough) GPUs available to allow for distributed ML. + + Returns: + bool: env can support distributed ML. + """ + if torch.cuda.is_available() and torch.cuda.device_count() > 1: + return True + return False class TorchDistributedStrategy(DistributedStrategy): """Abstract class to define the distributed backend methods for PyTorch models. """ + is_distributed: bool = True + is_initialized: bool = False + + @property + def is_main_worker(self) -> bool: + """Checks if local worker has global rank equal to zero. + + Returns: + bool: True if main worker. + """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") + return self.global_rank() == 0 + @abc.abstractmethod def init(self) -> None: """Initializes the chosen distributed backend""" - # @abc.abstractmethod # def distributed_engine( # self, model: nn.Module, optimizer: Optimizer, @@ -39,7 +68,7 @@ def distributed( """Setup model, optimizer and scheduler for distributed.""" @abc.abstractmethod - def dist_gwsize(self) -> int: + def global_world_size(self) -> int: """Returns the total number of processes (global world size). Returns: @@ -47,7 +76,7 @@ def dist_gwsize(self) -> int: """ @abc.abstractmethod - def dist_lwsize(self) -> int: + def local_world_size(self) -> int: """Returns the number of local workers available on a node (local world size). Usually it is equal to the number of available GPUs. @@ -57,7 +86,7 @@ def dist_lwsize(self) -> int: """ @abc.abstractmethod - def dist_grank(self) -> int: + def global_rank(self) -> int: """Returns the global rank of the current process. Rank ranges from 0 to world_size. @@ -66,28 +95,182 @@ def dist_grank(self) -> int: """ @abc.abstractmethod - def dist_lrank(self) -> int: + def local_rank(self) -> int: """Returns the local rank of the current process. Returns: int: local rank. """ - def is_main_worker(self) -> bool: - """Checks if local worker has global rank equal to zero. - - Returns: - bool: True if main worker. - """ - return self.dist_grank() == 0 - - def dist_device(self) -> str: + def device(self) -> str: """Device used by local worker. Returns: str: torch device in the form 'cuda:N'. """ - return f"cuda:{self.dist_lrank()}" + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") + return f"cuda:{self.local_rank()}" + + def create_dataloader( + self, dataset: Dataset[T_co], batch_size: Optional[int] = 1, + shuffle: Optional[bool] = None, + sampler: Union[Sampler, Iterable, None] = None, + batch_sampler: Union[Sampler[List], Iterable[List], None] = None, + num_workers: int = 0, collate_fn: Optional[_collate_fn_t] = None, + pin_memory: bool = False, drop_last: bool = False, + timeout: float = 0, + worker_init_fn: Optional[_worker_init_fn_t] = None, + multiprocessing_context=None, generator=None, + *, prefetch_factor: Optional[int] = None, + persistent_workers: bool = False, + pin_memory_device: str = "" + ): + """Create a distributed DataLoader by using ``DistributedSampler`` as + random sampler. + + Args: + dataset (Dataset): dataset from which to load the data. + batch_size (int, optional): how many samples per batch to load + (default: ``1``). + shuffle (bool, optional): set to ``True`` to have the data + reshuffled at every epoch (default: ``False``). + sampler (Sampler or Iterable, optional): defines the strategy to + draw + samples from the dataset. Can be any ``Iterable`` with + ``__len__`` + implemented. If specified, :attr:`shuffle` must not be + specified. + batch_sampler (Sampler or Iterable, optional): like + :attr:`sampler`, but + returns a batch of indices at a time. Mutually exclusive with + :attr:`batch_size`, :attr:`shuffle`, :attr:`sampler`, + and :attr:`drop_last`. + num_workers (int, optional): how many subprocesses to use for data + loading. ``0`` means that the data will be loaded in the main + process. (default: ``0``) + collate_fn (Callable, optional): merges a list of samples to form a + mini-batch of Tensor(s). Used when using batched loading from + a map-style dataset. + pin_memory (bool, optional): If ``True``, the data loader will + copy Tensors + into device/CUDA pinned memory before returning them. If your + data elements + are a custom type, or your :attr:`collate_fn` returns a batch + that is a custom type, + see the example below. + drop_last (bool, optional): set to ``True`` to drop the last + incomplete batch, + if the dataset size is not divisible by the batch size. + If ``False`` and + the size of dataset is not divisible by the batch size, then + the last batch + will be smaller. (default: ``False``) + timeout (numeric, optional): if positive, the timeout value for + collecting a batch + from workers. Should always be non-negative. (default: ``0``) + worker_init_fn (Callable, optional): If not ``None``, + this will be called on each + worker subprocess with the worker id (an int in + ``[0, num_workers - 1]``) as + input, after seeding and before data loading. + (default: ``None``) + multiprocessing_context (str or + multiprocessing.context.BaseContext, optional): If + ``None``, the default `multiprocessing context`_ of + your operating system will + be used. (default: ``None``) + generator (torch.Generator, optional): If not ``None``, + this RNG will be used + by RandomSampler to generate random indexes and + multiprocessing to generate + ``base_seed`` for workers. (default: ``None``) + prefetch_factor (int, optional, keyword-only arg): Number of + batches loaded + in advance by each worker. ``2`` means there will be a total of + 2 * num_workers batches prefetched across all workers. + (default value depends + on the set value for num_workers. If value of num_workers=0 + default is ``None``. + Otherwise, if value of ``num_workers > 0`` default is ``2``). + persistent_workers (bool, optional): If ``True``, the data loader + will not shut down + the worker processes after a dataset has been consumed once. + This allows to + maintain the workers `Dataset` instances alive. + (default: ``False``) + pin_memory_device (str, optional): the device to + :attr:`pin_memory` to if ``pin_memory`` is ``True``. + + + .. warning:: If the ``spawn`` start method is used, + :attr:`worker_init_fn` + cannot be an unpicklable object, e.g., a lambda function. + See :ref:`multiprocessing-best-practices` on more + details related to multiprocessing in PyTorch. + + .. warning:: ``len(dataloader)`` heuristic is based on the length of + the sampler used. + When :attr:`dataset` is an + :class:`~torch.utils.data.IterableDataset`, + it instead returns an estimate based on + ``len(dataset) / batch_size``, with proper + rounding depending on :attr:`drop_last`, regardless + of multi-process loading + configurations. This represents the best guess PyTorch + can make because PyTorch + trusts user :attr:`dataset` code in correctly handling + multi-process + loading to avoid duplicate data. + + However, if sharding results in multiple workers having + incomplete last batches, + this estimate can still be inaccurate, because (1) an + otherwise complete batch can + be broken into multiple ones and (2) more than one batch + worth of samples can be + dropped when :attr:`drop_last` is set. Unfortunately, + PyTorch can not detect such cases in general. + + See `Dataset Types`_ for more details on these two + types of datasets and how + :class:`~torch.utils.data.IterableDataset` interacts with + `Multi-process data loading`_. + + .. warning:: See :ref:`reproducibility`, and + :ref:`dataloader-workers-random-seed`, and + :ref:`data-loading-randomness` notes for random + seed related questions. + + .. _multiprocessing context: + https://docs.python.org/3/library/multiprocessing.html#contexts-and-start-methods + """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") + + if self.is_distributed: + if sampler is not None: + raise RuntimeError( + "User-provided sampler is not supported." + ) + sampler = DistributedSampler( + dataset, num_replicas=self.global_world_size(), + rank=self.global_rank(), + shuffle=shuffle + ) + # shuffle and batch_sampler must be unset + return DataLoader( + dataset=dataset, batch_size=batch_size, sampler=sampler, + num_workers=num_workers, collate_fn=collate_fn, + pin_memory=pin_memory, drop_last=drop_last, timeout=timeout, + worker_init_fn=worker_init_fn, + multiprocessing_context=multiprocessing_context, + generator=generator, prefetch_factor=prefetch_factor, + persistent_workers=persistent_workers, + pin_memory_device=pin_memory_device + ) @abc.abstractmethod def clean_up(self) -> None: @@ -105,8 +288,8 @@ def par_allgather_obj(self, obj: Any) -> List[Any]: """ -class DDPDistributedStrategy(TorchDistributedStrategy): - """PyTorch DDP distributed strategy class. +class TorchDDPStrategy(TorchDistributedStrategy): + """PyTorch ``DistributedDataParallel`` distributed strategy class. Args: backend (str): Name of the communication backend to employ. @@ -121,12 +304,21 @@ def __init__(self, backend: str) -> None: def init(self) -> None: """Initializes the distributed process group and the distributed package. + + Raises: + RuntimeError: when there are not (enough) GPUs available. + DistributedStrategyError: when trying to initialize a strategy + already initialized. """ - if torch.cuda.is_available() and torch.cuda.device_count() > 1: - dist.init_process_group(backend=self.backend) - else: - print("WARNING: trying to run distributed on insufficient" - " resources. Skipping distributed process group setup.") + if not distributed_resources_available(): + raise RuntimeError( + "Trying to run distributed on insufficient resources.") + if self.is_initialized: + raise DistributedStrategyError("Strategy was already initialized") + dist.init_process_group(backend=self.backend) + self.is_initialized = True + + torch.cuda.device(self.local_rank()) # def distributed_engine( # self, model: nn.Module, optimizer: Optimizer, @@ -158,55 +350,73 @@ def distributed( **kwargs ) -> Tuple[nn.Module, Optimizer, Optional[LRScheduler]]: """Setup model, optimizer and scheduler for distributed.""" + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") if torch.cuda.is_available(): # device = self.dist_lrank() - model = model.to(self.dist_device()) + model = model.to(self.device()) dist_model = torch.nn.parallel.DistributedDataParallel( model, - device_ids=[self.dist_device()], - output_device=self.dist_device() + device_ids=[self.device()], + output_device=self.device() ) else: dist_model = model return dist_model, optimizer, lr_scheduler - def dist_gwsize(self) -> int: + def global_world_size(self) -> int: """Returns the total number of processes (global world size). Returns: int: global world size. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return dist.get_world_size() - def dist_lwsize(self) -> int: + def local_world_size(self) -> int: """Returns the local number of workers available per node, which is usually the number of GPUs available. Returns: int: local world size. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return torch.cuda.device_count() - def dist_grank(self) -> int: + def global_rank(self) -> int: """Returns the global rank of the current process, where rank ranges from 0 to world_size. Returns: int: global rank. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return dist.get_rank() - def dist_lrank(self) -> int: + def local_rank(self) -> int: """Returns the local rank of the current process. Returns: int: local rank. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return dist.get_rank() % torch.cuda.device_count() def clean_up(self) -> None: """Destroys the current process group.""" + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") if torch.cuda.is_available(): dist.barrier() dist.destroy_process_group() @@ -221,12 +431,15 @@ def par_allgather_obj(self, obj: Any) -> List[Any]: Returns: List[Any]: List of gathered objects. """ - res = [None] * self.dist_gwsize() + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") + res = [None] * self.global_world_size() dist.all_gather_object(res, obj) return res -class DSDistributedStrategy(TorchDistributedStrategy): +class DeepSpeedStrategy(TorchDistributedStrategy): """DeepSpeed distributed strategy class. Args: @@ -256,7 +469,19 @@ def _load_config(self, ds_config) -> None: def init(self) -> None: """Initializes the distributed process group and the distributed package. + + Raises: + RuntimeError: when there are not (enough) GPUs available. + DistributedStrategyError: when trying to initialize a strategy + already initialized. """ + if not distributed_resources_available(): + raise RuntimeError( + "Trying to run distributed on insufficient resources.") + + if self.is_initialized: + raise DistributedStrategyError("Strategy was already initialized") + # https://github.com/Lightning-AI/pytorch-lightning/issues/13567 ompi_lrank = os.environ.get('OMPI_COMM_WORLD_LOCAL_RANK') os.environ['OMPI_COMM_WORLD_LOCAL_RANK'] = os.environ.get( @@ -264,6 +489,9 @@ def init(self) -> None: # https://deepspeed.readthedocs.io/en/latest/initialize.html#training-initialization deepspeed.init_distributed(dist_backend=self.backend) + self.is_initialized = True + + torch.cuda.device(self.local_rank()) def distributed( self, model: nn.Module, optimizer: Optional[Optimizer] = None, @@ -272,6 +500,10 @@ def distributed( **init_kwargs ) -> Tuple[nn.Module, Optimizer, Optional[LRScheduler]]: """Setup model, optimizer and scheduler for distributed.""" + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") + if init_kwargs.get("config"): self._load_config(init_kwargs.get("config")) # https://deepspeed.readthedocs.io/en/latest/initialize.html#training-initialization @@ -286,42 +518,57 @@ def distributed( ) return distrib_model, optimizer, lr_scheduler - def dist_gwsize(self) -> int: + def global_world_size(self) -> int: """Returns the total number of processes (global world size). Returns: int: global world size. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return dist.get_world_size() - def dist_lwsize(self) -> int: + def local_world_size(self) -> int: """Returns the local number of workers available per node, which is usually the number of GPUs available. Returns: int: local world size. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return torch.cuda.device_count() - def dist_grank(self) -> int: + def global_rank(self) -> int: """Returns the global rank of the current process, where rank ranges from 0 to world_size. Returns: int: global rank. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return dist.get_rank() - def dist_lrank(self) -> int: + def local_rank(self) -> int: """Returns the local rank of the current process. Returns: int: local rank. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return dist.get_rank() % torch.cuda.device_count() def clean_up(self) -> None: """Destroys the current process group.""" + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") deepspeed.sys.exit() def par_allgather_obj(self, obj: Any) -> list[Any]: @@ -334,18 +581,34 @@ def par_allgather_obj(self, obj: Any) -> list[Any]: Returns: List[Any]: List of gathered objects. """ - res = [None] * self.dist_gwsize() + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") + res = [None] * self.global_world_size() dist.all_gather_object(res, obj) return res -class HVDDistributedStrategy(TorchDistributedStrategy): +class HorovodStrategy(TorchDistributedStrategy): """Horovod distributed strategy class.""" def init(self) -> None: - """Initializes the Horovod distributed backend.""" + """Initializes the Horovod distributed backend. + + Raises: + RuntimeError: when there are not (enough) GPUs available. + DistributedStrategyError: when trying to initialize a strategy + already initialized. + """ + if not distributed_resources_available(): + raise RuntimeError( + "Trying to run distributed on insufficient resources.") + if self.is_initialized: + raise DistributedStrategyError("Strategy was already initialized") hvd.init() - torch.cuda.set_device(hvd.local_rank()) + self.is_initialized = True + + torch.cuda.device(self.local_rank()) def distributed( self, model: nn.Module, optimizer: Optional[Optimizer] = None, @@ -353,8 +616,11 @@ def distributed( **optim_kwargs ) -> Tuple[nn.Module, Optimizer, Optional[LRScheduler]]: """Setup model, optimizer and scheduler for distributed.""" + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") - model.to(self.dist_device()) + model.to(self.device()) # Scale learning rate # https://github.com/horovod/horovod/issues/1653#issuecomment-574764452 @@ -389,42 +655,57 @@ def _broadcast_params( hvd.broadcast_parameters(model.state_dict(), root_rank=0) hvd.broadcast_optimizer_state(optimizer, root_rank=-0) - def dist_gwsize(self) -> int: + def global_world_size(self) -> int: """Returns the total number of processes (global world size). Returns: int: global world size. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return hvd.size() - def dist_lwsize(self) -> int: + def local_world_size(self) -> int: """Returns the local number of workers available per node, which is usually the number of GPUs available. Returns: int: local world size. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return hvd.local_size() - def dist_grank(self) -> int: + def global_rank(self) -> int: """Returns the global rank of the current process, where rank ranges from 0 to world_size. Returns: int: global rank. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return hvd.rank() - def dist_lrank(self) -> int: + def local_rank(self) -> int: """Returns the local rank of the current process. Returns: int: local rank. """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return hvd.local_rank() def clean_up(self) -> None: """Shuts Horovod down.""" + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") hvd.shutdown() def par_allgather_obj(self, obj: Any) -> list[Any]: @@ -437,484 +718,99 @@ def par_allgather_obj(self, obj: Any) -> list[Any]: Returns: list: gathered list with size(#worker). """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") return hvd.allgather_object(obj) -# class TorchDistributedStrategy_old(DistributedStrategy): -# """Abstract class to define the distributed backend methods for -# PyTorch models. -# """ -# @abc.abstractmethod -# def init_backend(self) -> None: -# """Initializes the chosen distributed backend""" +class NonDistributedStrategy(TorchDistributedStrategy): + """Dummy class for non-distributed environments.""" -# @abc.abstractmethod -# def distribute_model(self, model: Any) -> Any: -# """Distributes a machine learning model. + is_distributed: bool = False -# Args: -# model (Any): a generic ML model to be distributed. + def init(self) -> None: + """If CUDA is available set CUDA device, and do nothing more. -# Returns: -# Any: distributed model instance. -# """ + Raises: + DistributedStrategyError: when trying to initialize a strategy + already initialized. + """ + if self.is_initialized: + raise DistributedStrategyError("Strategy was already initialized") + if torch.cuda.is_available(): + torch.cuda.device(self.local_rank()) + self.is_initialized = True -# @abc.abstractmethod -# def broadcast_params(self, model: Any, optimizer: Any) -> None: -# """Broadcasts variables from root rank to all other processes/ + def device(self) -> str: + """Device used by local worker. -# Args: -# model (Any): distributed model. -# optimizer (Any): optimizer. -# """ + Returns: + str: cpu device if CUDA is not available. + """ + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") + if torch.cuda.is_available(): + return super().device() + return "cpu" + + def distributed( + self, model: nn.Module, optimizer: Optional[Optimizer] = None, + lr_scheduler: Optional[LRScheduler] = None, + **kwargs + ) -> Tuple[nn.Module, Optimizer, Optional[LRScheduler]]: + """Do nothing and return model, optimizer and scheduler.""" + if not self.is_initialized: + raise UninitializedStrategyError( + "Strategy has not been initialized. Use the init method.") + if torch.cuda.is_available(): + model = model.cuda() + return model, optimizer, lr_scheduler + + def global_world_size(self) -> int: + """Returns the total number of processes (global world size). + + Returns: + int: global world size. + """ + return 1 + + def local_world_size(self) -> int: + """Returns the local number of workers available per node, + which is usually the number of GPUs available. + + Returns: + int: local world size. + """ + return 1 + + def global_rank(self) -> int: + """Returns the global rank of the current process, where + rank ranges from 0 to world_size. + + Returns: + int: global rank. + """ + return 0 + + def local_rank(self) -> int: + """Returns the local rank of the current process. -# @abc.abstractmethod -# def distribute_optimizer(self, optimizer: Any, model: Any) -> Any: -# """Distribute optimizer. + Returns: + int: local rank. + """ + return 0 -# Args: -# optimizer (Any): optimizer. -# model (Any): distributed model. + def clean_up(self) -> None: + """Do nothing.""" -# Returns: -# Any: distributed optimizer. -# """ + def par_allgather_obj(self, obj: Any) -> list[Any]: + """Raise error as this operation is not available. -# @abc.abstractmethod -# def dist_gwsize(self) -> int: -# """Returns the total number of processes (global world size). - -# Returns: -# int: global world size. -# """ - -# @abc.abstractmethod -# def dist_lwsize(self) -> int: -# """Returns the number of local workers available on a node -# (local world size). -# Usually it is equal to the number of available GPUs. - -# Returns: -# int: local world size. -# """ - -# @abc.abstractmethod -# def dist_grank(self) -> int: -# """Returns the global rank of the current process. -# Rank ranges from 0 to world_size. - -# Returns: -# int: global rank. -# """ - -# @abc.abstractmethod -# def dist_lrank(self) -> int: -# """Returns the local rank of the current process. - -# Returns: -# int: local rank. -# """ - -# def is_main_worker(self) -> bool: -# """Checks if local worker has global rank equal to zero. - -# Returns: -# bool: True if main worker. -# """ -# return self.dist_grank() == 0 - -# def dist_device(self) -> str: -# """Device used by local worker. - -# Returns: -# str: torch device in the form 'cuda:N'. -# """ -# return f"cuda:{self.dist_lrank()}" - -# @abc.abstractmethod -# def clean_up(self) -> None: -# """Cleans up resources allocated by distributed strategy.""" - -# @abc.abstractmethod -# def par_allgather_obj(self, obj: Any) -> List[Any]: -# """Gathers any object from the whole group in a list -# (to all workers). - -# Args: -# obj (Any): object to gather from all workers. - -# Returns: -# List[Any]: list of objects gathered from all workers. -# """ - - -# class DDPDistributedStrategy_old(TorchDistributedStrategy_old): -# """PyTorch DDP distributed strategy class. - -# Args: -# backend (str): Name of the communication backend to employ. -# """ - -# backend: str - -# def __init__(self, backend: str) -> None: -# super().__init__() -# self.backend = backend - -# def init_backend(self) -> None: -# """Initializes the distributed process group and the distributed -# package. -# """ -# if torch.cuda.is_available(): -# dist.init_process_group(backend=self.backend) - -# def distribute_model(self, model: nn.Module) -> nn.Module: -# """Achieves data parallelism by synchronizing the gradients -# across each model replica located in each available -# computing device. - -# Args: -# model (nn.Module): ML model to be distributed. - -# Returns: -# nn.Module: Distributed model replicas across all devices. -# that are to be synchronized. -# """ -# if torch.cuda.is_available(): -# # device = self.dist_lrank() -# model = model.to(self.dist_device()) -# dist_model = torch.nn.parallel.DistributedDataParallel( -# model, -# device_ids=[self.dist_device()], -# output_device=self.dist_device() -# ) -# else: -# dist_model = model - -# return dist_model - -# def broadcast_params( -# self, -# model: nn.Module, -# optimizer: optim.Optimizer -# ) -> None: -# """Do nothing. Only applicable for Horovod. - -# Args: -# model (nn.Module): ML model -# optimizer (optim.Optimizer): Optimizer -# """ -# pass - -# def distribute_optimizer( -# self, -# optimizer: optim.Optimizer, -# model: nn.Module = None -# ) -> optim.Optimizer: -# """Returns the optimizer from argument. - -# Args: -# optimizer (optim.Optimizer): optimizer. -# model (nn.Module): ML model. Unused here. - -# Returns: -# optim.Optimizer: Distributed optimizer. -# """ -# return optimizer - -# def dist_gwsize(self) -> int: -# """Returns the total number of processes (global world size). - -# Returns: -# int: global world size. -# """ -# return dist.get_world_size() - -# def dist_lwsize(self) -> int: -# """Returns the local number of workers available per node, -# which is usually the number of GPUs available. - -# Returns: -# int: local world size. -# """ -# return torch.cuda.device_count() - -# def dist_grank(self) -> int: -# """Returns the global rank of the current process, where -# rank ranges from 0 to world_size. - -# Returns: -# int: global rank. -# """ -# return dist.get_rank() - -# def dist_lrank(self) -> int: -# """Returns the local rank of the current process. - -# Returns: -# int: local rank. -# """ -# return dist.get_rank() % torch.cuda.device_count() - -# def clean_up(self) -> None: -# """Destroys the current process group.""" -# if torch.cuda.is_available(): -# dist.barrier() -# dist.destroy_process_group() - -# def par_allgather_obj(self, obj: Any) -> List[Any]: -# """Gathers any object from the whole group -# in a list (to all workers). - -# Args: -# obj (Any): Object to gather from all workers. - -# Returns: -# List[Any]: List of gathered objects. -# """ -# res = [None] * self.dist_gwsize() -# dist.all_gather_object(res, obj) -# return res - - -# class DSDistributedStrategy_old(TorchDistributedStrategy_old): -# """DeepSpeed distributed strategy class. - -# Args: -# backend (str): Name of the communication backend to employ. -# config (Union[dict, Path, str]): DeepSpeed config. Either a -# dictionary or a path to a JSON file. -# """ - -# config: Dict = None -# backend: str - -# def __init__( -# self, -# backend: str, -# config: Union[Dict, Path, str] -# ) -> None: -# super().__init__() -# self.backend = backend -# self._load_config(config) - -# def _load_config(self, ds_config): -# if isinstance(ds_config, (str, Path)): -# with open(ds_config) as fp: -# self.config = json.load(fp) -# elif isinstance(ds_config, dict): -# self.config = ds_config -# else: -# raise ValueError("ds_config is not a dictionary not a path.") - -# def init_backend(self) -> None: -# """Initializes the distributed process group and the distributed -# package. -# """ -# deepspeed.init_distributed(dist_backend=self.backend) - -# def distribute_model(self, model: nn.Module) -> nn.Module: -# """Achieves data parallelism by synchronizing the gradients -# across each model replica located in each available -# computing device. - -# Args: -# model (nn.Module): ML model to be distributed. - -# Returns: -# nn.Module: Distributed model replicas across all devices -# that are to be synchronized. -# """ -# distrib_model, __, __, __ = deepspeed.initialize( -# model=model, -# model_parameters=model.parameters(), -# dist_init_required=True, -# config=self.config -# ) -# return distrib_model - -# def broadcast_params( -# self, model: nn.Module, optimizer: optim.Optimizer -# ) -> None: -# """Only applicable for Horovod. Does nothing. - -# Args: -# model (nn.Module): ML model. -# optimizer (optim.Optimizer): optimizer. -# """ -# pass - -# def distribute_optimizer( -# self, -# optimizer: optim.Optimizer, -# model: nn.Module = None -# ) -> optim.Optimizer: -# """Returns the optimizer from argument. - -# Args: -# optimizer (optim.Optimizer): torch optimizer. -# model (nn.Module): torch neural network. - -# Returns: -# optim.Optimizer: distributed optimizer. -# """ -# return optimizer - -# def dist_gwsize(self) -> int: -# """Returns the total number of processes (global world size). - -# Returns: -# int: global world size. -# """ -# return dist.get_world_size() - -# def dist_lwsize(self) -> int: -# """Returns the local number of workers available per node, -# which is usually the number of GPUs available. - -# Returns: -# int: local world size. -# """ -# return torch.cuda.device_count() - -# def dist_grank(self) -> int: -# """Returns the global rank of the current process, where -# rank ranges from 0 to world_size. - -# Returns: -# int: global rank. -# """ -# return dist.get_rank() - -# def dist_lrank(self) -> int: -# """Returns the local rank of the current process. - -# Returns: -# int: local rank. -# """ -# return dist.get_rank() % torch.cuda.device_count() - -# def clean_up(self) -> None: -# """Destroys the current process group.""" -# deepspeed.sys.exit() - -# def par_allgather_obj(self, obj: Any) -> list[Any]: -# """Gathers any object from the whole group -# in a list (to all workers). - -# Args: -# obj (Any): Object to gather from all workers. - -# Returns: -# List[Any]: List of gathered objects. -# """ -# res = [None] * self.dist_gwsize() -# dist.all_gather_object(res, obj) -# return res - - -# class HVDDistributedStrategy_old(TorchDistributedStrategy_old): -# """Horovod distributed strategy class.""" - -# def init_backend(self) -> None: -# """Initializes the Horovod distributed backend.""" -# hvd.init() - -# def distribute_model(self, model: nn.Module) -> nn.Module: -# """Only applicable for DDP and DeepSpeed. -# For Horovod, returns the same model passed as argument. - -# Args: -# model (nn.Module): ML model to be distributed. - -# Returns: -# nn.Module: ML model passed in the argument. -# """ -# return model - -# def broadcast_params( -# self, model: nn.Module, optimizer: optim.Optimizer -# ) -> None: -# """Broadcasts variables from root rank to all other processes. - -# Args: -# model (nn.Module): ML model that is to be broadcasted -# across processes. -# optimizer (optim.Optimizer): Optimizer that is to be broadcasted -# across processes. -# """ -# hvd.broadcast_parameters(model.state_dict(), root_rank=0) -# hvd.broadcast_optimizer_state(optimizer, root_rank=-0) - -# def distribute_optimizer( -# self, -# optimizer: optim.Optimizer, -# model: nn.Module -# ) -> optim.Optimizer: -# """Constructs a DistributedOptimizer, for computing single-process -# gradient values and applying gradient updates after the gradients -# have been combined across all the Horovod ranks. - -# Args: -# optimizer (optim.Optimizer): Optimizer to be distributed. -# model (nn.Module): ML model to be trained. - -# Returns: -# optim.Optimizer: Distributed optimizer across all ranks. -# """ -# distOptimizer = hvd.DistributedOptimizer( -# optimizer, -# named_parameters=model.named_parameters(), -# op=hvd.Average -# ) -# return distOptimizer - -# def dist_gwsize(self) -> int: -# """Returns the total number of processes (global world size). - -# Returns: -# int: global world size. -# """ -# return hvd.size() - -# def dist_lwsize(self) -> int: -# """Returns the local number of workers available per node, -# which is usually the number of GPUs available. - -# Returns: -# int: local world size. -# """ -# return hvd.local_size() - -# def dist_grank(self) -> int: -# """Returns the global rank of the current process, where -# rank ranges from 0 to world_size. - -# Returns: -# int: global rank. -# """ -# return hvd.rank() - -# def dist_lrank(self) -> int: -# """Returns the local rank of the current process. - -# Returns: -# int: local rank. -# """ -# return hvd.local_rank() - -# def clean_up(self) -> None: -# """Shuts Horovod down.""" -# hvd.shutdown() - -# def par_allgather_obj(self, obj: Any) -> list[Any]: -# """Gathers scalar objects across all workers to a -# list with size(#worker), uses horovod communicator - -# Args: -# obj (Any): object in a worker. - -# Returns: -# list: gathered list with size(#worker). -# """ -# return hvd.allgather_object(obj) + Args: + obj (Any): object in a worker. + """ + raise RuntimeError( + f"{self.__class__.__name__} does not support this operation." + ) diff --git a/src/itwinai/torch/engine.py b/src/itwinai/torch/engine.py deleted file mode 100644 index 7084d6ec..00000000 --- a/src/itwinai/torch/engine.py +++ /dev/null @@ -1,276 +0,0 @@ -""" -Model engine which wraps a torch NN. Still under development. May be removed... -""" - -import abc -from typing import Any, Union, Optional, Callable - -from pydantic import BaseModel - -import torch -import torch.nn as nn -import torch.optim as optim -from torch.optim.lr_scheduler import _LRScheduler as LRScheduler -from torch.cuda import amp -from torch import autocast - - -class OptimizerConfig: - def __init__(self, optim_class, **kwargs) -> None: - self.optim_class = optim_class - self.kwargs = kwargs - - def to_optim(self, parameters) -> optim.Optimizer: - return self.optim_class(parameters, **self.kwargs) - - -class LRSchedulerConfig: - def __init__(self, scheduler_class, **kwargs) -> None: - self.scheduler_class = scheduler_class - self.kwargs = kwargs - - def to_scheduler(self, optim) -> LRScheduler: - return self.scheduler_class(optim, **self.kwargs) - - -class ModelEngineConfig(BaseModel): - mixed_precision: bool = False - - -class ModelEngine(abc.ABC): - """Wrapper around ML model, which abstracts from distributed and - mixed-precision models. - """ - - model: nn.Module - _model_parameters: Any - optimizer: optim.Optimizer - lr_scheduler: LRScheduler - # config: ModelEngineConfig - mixed_precision: bool = False - grad_scaler: amp.GradScaler = None - - def __init__( - self, - model: nn.Module, - # model_parameters: Any, - optimizer: Union[optim.Optimizer, OptimizerConfig], - lr_scheduler: Optional[Union[LRScheduler, LRSchedulerConfig]] = None, - mixed_precision: bool = False - # config: Optional[ModelEngineConfig] = None - ) -> None: - super().__init__() - self.model = model - self.optimizer = optimizer - self.lr_scheduler = lr_scheduler - # self._model_parameters = model_parameters - # if isinstance(optimizer, OptimizerConfig): - # self.optimizer = optimizer.to_optim(model_parameters) - # else: - # self.optimizer = optimizer - - # if isinstance(lr_scheduler, LRSchedulerConfig): - # self.lr_scheduler = lr_scheduler.to_scheduler(self.optimizer) - # else: - # self.lr_scheduler = lr_scheduler - - # if not config: - # self.config = ModelEngineConfig() - self.mixed_precision = mixed_precision - if mixed_precision: - self.grad_scaler = amp.GradScaler() - - def __call__(self, *args: Any, **kwds: Any) -> Any: - """Performs the forward operation.""" - # Wrapper of self.forward() - return self.forward(*args, **kwds) - - def forward(self, *args: Any, **kwds: Any) -> Any: - """Performs the forward operation.""" - return self.model(*args, **kwds) - - def train(self, mode: bool = True) -> nn.Module: - """Set model in training mode.""" - self.model.train(mode=mode) - return self.model - - def eval(self) -> nn.Module: - """Set model in inference mode.""" - self.model.eval() - return self.model - - def to(self, device) -> nn.Module: - """Move model to specified device.""" - self.model.to(device) - return self.model - - @abc.abstractmethod - def zero_grad(): - """Set gradients to zero for the optimizer.""" - - @abc.abstractmethod - def backward(self, loss_fn: Callable, *loss_args) -> torch.Tensor: - """Perform backward pass and return the loss. - - Args: - loss_fn (Callable): computes the loss. - *loss_args: are the arguments to be passed to ``loss_fn``. - - Returns: - torch.Tensor: computed loss. - """ - - @abc.abstractmethod - def optimizer_step(self): - """Perform optimizer step.""" - - @abc.abstractmethod - def lr_scheduler_step(self): - """Perform lr scheduler step, if present.""" - # This should be incorporated in the optim step: - # https://deepspeed.readthedocs.io/en/latest/schedulers.html - # scheduler is updated automatically at each training step - - @abc.abstractmethod - def save_checkpoint(self): - """Save checkpoint to persistent storage.""" - - -class DDPModelEngine(ModelEngine): - """Model engine for torch DDP distributed strategy.""" - - def forward(self, *args: Any, **kwds: Any) -> Any: - """Performs the forward operation.""" - if self.mixed_precision: - # https://pytorch.org/docs/stable/notes/amp_examples.html - # Runs the forward pass with autocasting. - with autocast(device_type='cuda', dtype=torch.float16): - return self.model(*args, **kwds) - else: - return self.model(*args, **kwds) - - def zero_grad(self): - """Set gradients to zero for the optimizer.""" - self.optimizer.zero_grad() - - def backward(self, loss_fn: Callable, *loss_args) -> torch.Tensor: - """Perform backward pass and return the loss. - - Args: - loss_fn (Callable): computes the loss. - *loss_args: are the arguments to be passed to ``loss_fn``. - - Returns: - torch.Tensor: computed loss. - """ - if self.mixed_precision: - # https://pytorch.org/docs/stable/notes/amp_examples.html - # Runs the forward pass with autocasting. - with autocast(device_type='cuda', dtype=torch.float16): - loss = loss_fn(*loss_args) - - # Scales loss. Calls backward() on scaled loss to create scaled - # gradients. - # Backward passes under autocast are not recommended. - # Backward ops run in the same dtype autocast chose for - # corresponding forward ops. - loss = self.grad_scaler.scale(loss) - else: - loss = loss_fn(*loss_args) - loss.backward() - return loss - - def optimizer_step(self): - """Perform optimizer step.""" - if self.mixed_precision: - # https://pytorch.org/docs/stable/notes/amp_examples.html#typical-mixed-precision-training - # scaler.step() first unscales the gradients of the optimizer's - # assigned params. - # If these gradients do not contain infs or NaNs, optimizer.step() - # is then called, - # otherwise, optimizer.step() is skipped. - self.grad_scaler.step(self.optimizer) - - # Updates the scale for next iteration. - self.grad_scaler.update() - else: - self.optimizer.step() - - def lr_scheduler_step(self): - """Perform lr scheduler step, if present.""" - if self.lr_scheduler: - self.lr_scheduler.step() - - def save_checkpoint(self): - """Save checkpoint to persistent storage.""" - raise NotImplementedError - - -class DSModelEngine(ModelEngine): - """Model engine for DeeSpeed distributed strategy.""" - - def forward(self, *args: Any, **kwds: Any) -> Any: - """Performs the forward operation.""" - if self.mixed_precision: - # https://pytorch.org/docs/stable/notes/amp_examples.html - # Runs the forward pass with autocasting. - with autocast(device_type='cuda', dtype=torch.float16): - return self.model(*args, **kwds) - else: - return self.model(*args, **kwds) - - def zero_grad(self): - """Set gradients to zero for the optimizer.""" - self.optimizer.zero_grad() - - def backward(self, loss_fn: Callable, *loss_args) -> torch.Tensor: - """Perform backward pass and return the loss. - - Args: - loss_fn (Callable): computes the loss. - *loss_args: are the arguments to be passed to ``loss_fn``. - - Returns: - torch.Tensor: computed loss. - """ - if self.mixed_precision: - # https://pytorch.org/docs/stable/notes/amp_examples.html - # Runs the forward pass with autocasting. - with autocast(device_type='cuda', dtype=torch.float16): - loss = loss_fn(*loss_args) - - # Scales loss. Calls backward() on scaled loss to create scaled - # gradients. - # Backward passes under autocast are not recommended. - # Backward ops run in the same dtype autocast chose for - # corresponding forward ops. - loss = self.grad_scaler.scale(loss) - else: - loss = loss_fn(*loss_args) - loss.backward() - return loss - - def optimizer_step(self): - """Perform optimizer step.""" - if self.mixed_precision: - # https://pytorch.org/docs/stable/notes/amp_examples.html#typical-mixed-precision-training - # scaler.step() first unscales the gradients of the optimizer's - # assigned params. - # If these gradients do not contain infs or NaNs, optimizer.step() - # is then called, - # otherwise, optimizer.step() is skipped. - self.grad_scaler.step(self.optimizer) - - # Updates the scale for next iteration. - self.grad_scaler.update() - else: - self.optimizer.step() - - def lr_scheduler_step(self): - """Perform lr scheduler step, if present.""" - if self.lr_scheduler: - self.lr_scheduler.step() - - def save_checkpoint(self): - """Save checkpoint to persistent storage.""" - raise NotImplementedError diff --git a/src/itwinai/torch/inference.py b/src/itwinai/torch/inference.py index 02882f06..bb9af300 100644 --- a/src/itwinai/torch/inference.py +++ b/src/itwinai/torch/inference.py @@ -6,8 +6,7 @@ from torch import nn from torch.utils.data import DataLoader, Dataset -from ..utils import dynamically_import_class -from .utils import clear_key +from ..utils import dynamically_import_class, clear_key from ..components import Predictor, monitor_exec from .types import TorchDistributedStrategy as StrategyT from .types import Metric, Batch diff --git a/src/itwinai/torch/mlflow.py b/src/itwinai/torch/mlflow.py index 18a014ff..8bc854d4 100644 --- a/src/itwinai/torch/mlflow.py +++ b/src/itwinai/torch/mlflow.py @@ -16,6 +16,8 @@ def _get_mlflow_logger_conf(pl_config: Dict) -> Optional[Dict]: Optional[Dict]: if present, MLFLowLogger constructor arguments (under 'init_args' key). """ + if not pl_config['trainer'].get('logger'): + return None if isinstance(pl_config['trainer']['logger'], list): # If multiple loggers are provided for logger_conf in pl_config['trainer']['logger']: diff --git a/src/itwinai/torch/reproducibility.py b/src/itwinai/torch/reproducibility.py new file mode 100644 index 00000000..1513c82a --- /dev/null +++ b/src/itwinai/torch/reproducibility.py @@ -0,0 +1,48 @@ +""" +This module provides the tools to support reproducible execution of +torch scripts. +""" + +from typing import Optional +import numpy as np +import random + +import torch + + +def seed_worker(worker_id): + """Seed DataLoader worker.""" + worker_seed = torch.initial_seed() % 2**32 + np.random.seed(worker_seed) + random.seed(worker_seed) + + +def set_seed( + rnd_seed: Optional[int], + deterministic_cudnn: bool = True +) -> torch.Generator: + """Set torch random seed and return a PRNG object. + + Args: + rnd_seed (Optional[int]): random seed. If None, the seed is not set. + deterministic_cudnn (bool): if True, sets + ``torch.backends.cudnn.benchmark = False``, which may affect + performances. + + Returns: + torch.Generator: PRNG object. + """ + g = torch.Generator() + if rnd_seed is not None: + # Deterministic execution + np.random.seed(rnd_seed) + random.seed(rnd_seed) + torch.manual_seed(rnd_seed) + g.manual_seed(rnd_seed) + if torch.cuda.is_available(): + torch.cuda.manual_seed(rnd_seed) + torch.cuda.manual_seed_all(rnd_seed) + if deterministic_cudnn: + torch.backends.cudnn.benchmark = False + torch.backends.cudnn.deterministic = True + return g diff --git a/src/itwinai/torch/trainer.py b/src/itwinai/torch/trainer.py index f0ad1c03..4e7a108f 100644 --- a/src/itwinai/torch/trainer.py +++ b/src/itwinai/torch/trainer.py @@ -1,15 +1,12 @@ """Provides training logic for PyTorch models via Trainer classes.""" from typing import ( - Optional, Dict, Union, Tuple, Type, List, Any + Optional, Dict, Union, Tuple, List, Any, Literal ) -import time import os import sys -import numpy as np import torch -import torch.multiprocessing as mp from torch.utils.data import DataLoader, Dataset from torch.utils.data.distributed import DistributedSampler import torch.distributed as dist @@ -17,494 +14,319 @@ import torch.nn as nn from torch.optim.optimizer import Optimizer +import lightning as L +from lightning.pytorch.cli import LightningCLI + +import horovod.torch as hvd + from ..components import Trainer, monitor_exec -from .utils import seed_worker, par_allgather_obj, clear_key from .types import ( Batch, Loss, LrScheduler, Metric ) -from .types import TorchDistributedStrategy as StrategyT -from ..loggers import LogMixin, Logger, ConsoleLogger -from ..utils import dynamically_import_class -from ..cluster import ClusterEnvironment -# from .distributed import ( -# TorchDistributedStrategy, -# DDPDistributedStrategy, -# DSDistributedStrategy, -# HVDDistributedStrategy -# ) +from ..loggers import LogMixin, Logger +from .reproducibility import seed_worker, set_seed +from .distributed import ( + TorchDistributedStrategy, + TorchDDPStrategy, + HorovodStrategy, + DeepSpeedStrategy, + NonDistributedStrategy, + distributed_resources_available +) +from ..utils import load_yaml +from .mlflow import ( + init_lightning_mlflow, + teardown_lightning_mlflow +) -def preproc_dataloader(dataloader: DataLoader, gwsize, grank): - """Makes a Dataloader distributed.""" - sampler = DistributedSampler( - dataloader.dataset, - num_replicas=gwsize, - rank=grank, - shuffle=True - ) - # Recreate dataloader, with updated sampler - return DataLoader( - dataloader.dataset, - batch_size=dataloader.batch_size, - sampler=sampler, - num_workers=dataloader.num_workers, - collate_fn=dataloader.collate_fn, - pin_memory=dataloader.pin_memory, - drop_last=dataloader.drop_last, - timeout=dataloader.timeout, - worker_init_fn=seed_worker, # dataloader.worker_init_fn, - multiprocessing_context=dataloader.multiprocessing_context, - generator=dataloader.generator, - prefetch_factor=dataloader.prefetch_factor, - persistent_workers=dataloader.persistent_workers, - pin_memory_device=dataloader.pin_memory_device - ) +class Config: + def __init__(self, my_dict: Optional[Dict] = None): + my_dict = my_dict if my_dict is not None else {} + self.__dict__.update(my_dict) -def distributed(func): - """The decorated function must have a standard signature. - Its first arguments must be: - model, train_dataloader, validation_dataloader, device (in this order). +class TorchTrainer(Trainer, LogMixin): + """Trainer class for torch training algorithms. - Additional args or kwargs are allowed consistently with the signature - of the decorated function. + Args: + config (Dict): training configuration containing hyperparameters. + epochs (int): number of training epochs. + model (Optional[nn.Module], optional): model to train. + Defaults to None. + strategy (Literal["ddp", "deepspeed", + "horovod"], optional): distributed strategy. + Defaults to 'ddp'. + validation_every (Optional[int], optional): run a validation epoch + every ``validation_every`` epochs. Disabled if None. Defaults to 1. + test_every (Optional[int], optional): run a test epoch + every ``test_every`` epochs. Disabled if None. Defaults to None. + random_seed (Optional[int], optional): set random seed for + reproducibility. If None, the seed is not set. Defaults to None. + logger (Optional[Logger], optional): logger for ML tracking. + Defaults to None. + log_all_workers (bool, optional): if True, the ``log`` method is + called on all workers in the distributed context. Defaults to False. + metrics (Optional[Dict[str, Metric]], optional): map of torchmetrics + metrics. Defaults to None. + name (Optional[str], optional): trainer custom name. Defaults to None. """ - def dist_train( - model, train_dataloader, validation_dataloader=None, device='cpu', - *args, **kwargs - ): - if torch.cuda.is_available(): - dist.init_process_group(backend='nccl') - - if torch.cuda.is_available(): - lwsize = torch.cuda.device_count() # local world size - per node - gwsize = dist.get_world_size() # global world size - per run - grank = dist.get_rank() # global rank - assign per run - lrank = dist.get_rank() % lwsize # local rank - assign per node - else: - gwsize = 1 - grank = 0 - lrank = 0 - - device = torch.device( - 'cuda' if torch.cuda.is_available() else 'cpu', lrank) - if torch.cuda.is_available(): - torch.cuda.set_device(lrank) - - model = model.to(device) - model = DDP(model, device_ids=[device], output_device=device) - - train_dataloader = preproc_dataloader(train_dataloader, gwsize, grank) - if validation_dataloader is not None: - validation_dataloader = preproc_dataloader( - validation_dataloader, gwsize, grank) - - try: - func(model, train_dataloader, validation_dataloader, device, - *args, **kwargs) - finally: - if torch.cuda.is_available(): - dist.barrier() - dist.destroy_process_group() - return dist_train + # TODO: + # - add checkpointing. + # - extract BaseTorchTrainer and extend it creating a set of trainer + # templates (e.g.. GAN, Classifier, Transformer) allowing scientists + # to reuse ML algos. + # - improve get from configuration object + _strategy: TorchDistributedStrategy = None -class TorchTrainerMG(Trainer, LogMixin): - """ - Torch trainer for optionally distributed data-parallel (DDP) workload. - Multi-GPU distribution. - - Args: - model (nn.Module): neural network instance. - loss (Loss): torch loss function instance. - optimizer_class (str): path to optimizer class - (e.g., 'torch.optim.SGD') - optimizer_kwargs (Optional[Dict], optional): optimizer constructor - arguments (except from parameters). Defaults to None. - lr_scheduler_class (Optional[str], optional): path to learning - rate scheduler class. Defaults to None. - lr_scheduler_kwargs (Optional[Dict], optional): constructor arguments - of the learning rate scheduler, except for the optimizer. - Defaults to None. - train_dataloader_class (str, optional): train dataloader class path. - Defaults to 'torch.utils.data.DataLoader'. - train_dataloader_kwargs (Optional[Dict], optional): constructor - arguments of the train dataloader, except for the dataset - instance. Defaults to None. - validation_dataloader_class (str, optional): validation dataloader - class path. Defaults to 'torch.utils.data.DataLoader'. - validation_dataloader_kwargs (Optional[Dict], optional): constructor - arguments of the validation dataloader, except for the dataset - instance. If None, it replicates `train_dataloader_kwargs`. - Defaults to None. - epochs (int, optional): number of training epochs. Defaults to 1. - strategy (Optional[TorchDistributedStrategy], optional): distributed - strategy. Defaults to StrategyT.NONE.value. - backend (TorchDistributedBackend, optional): computing backend. - Defaults to BackendT.NCCL.value. - shuffle_dataset (bool, optional): whether shuffle dataset before - sampling batches from dataloader. Defaults to False. - use_cuda (bool, optional): whether to use GPU. Defaults to True. - benchrun (bool, optional): sets up a debug run. Defaults to False. - testrun (bool, optional): deterministic training seeding everything. - Defaults to False. - seed (Optional[int], optional): random seed. Defaults to None. - logger (Optional[List[Logger]], optional): logger. Defaults to None. - checkpoint_every (int, optional): how often (epochs) to checkpoint the - best model. Defaults to 10. - cluster (Optional[ClusterEnvironment], optional): cluster environment - object describing the context in which the trainer is executed. - Defaults to None. - train_metrics (Optional[Dict[str, Metric]], optional): - list of metrics computed in the training step on the predictions. - It's a dictionary with the form - ``{'metric_unique_name': CallableMetric}``. Defaults to None. - validation_metrics (Optional[Dict[str, Metric]], optional): same - as ``training_metrics``. If not given, it mirrors the training - metrics. Defaults to None. - - Raises: - RuntimeError: When trying to use DDP without CUDA support. - NotImplementedError: when trying to use a strategy different from the - ones provided by TorchDistributedStrategy. - """ + train_dataloader: DataLoader = None + validation_dataloader: DataLoader = None + test_dataloader: DataLoader = None model: nn.Module = None loss: Loss = None optimizer: Optimizer = None - lr_scheduler = None - _strategy: StrategyT = StrategyT.NONE.value - train_dataset: Dataset - validation_dataset: Dataset - train_dataloader: DataLoader = None - validation_dataloader: DataLoader = None - epoch_idx: int = 0 + lr_scheduler: LrScheduler = None + + torch_rng: torch.Generator = None + logger: Logger = None train_glob_step: int = 0 validation_glob_step: int = 0 - train_metrics: Dict[str, Metric] - validation_metrics: Dict[str, Metric] + test_glob_step: int = 0 + metrics: Dict[str, Metric] def __init__( self, - model: nn.Module, - loss: Loss, - optimizer_class: str, - optimizer_kwargs: Optional[Dict] = None, - lr_scheduler_class: Optional[str] = None, - lr_scheduler_kwargs: Optional[Dict] = None, - train_dataloader_class: str = 'torch.utils.data.DataLoader', - train_dataloader_kwargs: Optional[Dict] = None, - validation_dataloader_class: str = 'torch.utils.data.DataLoader', - validation_dataloader_kwargs: Optional[Dict] = None, - epochs: int = 1, - strategy: str = StrategyT.NONE.value, - benchrun: bool = False, - testrun: bool = False, - seed: Optional[int] = None, - logger: Optional[List[Logger]] = None, - checkpoint_every: int = 10, - cluster: Optional[ClusterEnvironment] = None, - train_metrics: Optional[Dict[str, Metric]] = None, - validation_metrics: Optional[Dict[str, Metric]] = None + config: Dict, + epochs: int, + model: Optional[nn.Module] = None, + strategy: Literal["ddp", "deepspeed", "horovod"] = 'ddp', + validation_every: Optional[int] = 1, + test_every: Optional[int] = None, + random_seed: Optional[int] = None, + logger: Optional[Logger] = None, + log_all_workers: bool = False, + metrics: Optional[Dict[str, Metric]] = None, + name: Optional[str] = None ) -> None: - """Sets up the distributed backend and loggers. - Makes the model a DDP model. - """ - super().__init__() + super().__init__(name) self.save_parameters(**self.locals2params(locals())) - self.model = model - self.loss = loss + + # config is mean to store all hyperparameters, which can very from use + # case to use case + # and include learning_rate, batch_size.... + self.config = Config(config) self.epochs = epochs - self.testrun = testrun - self.seed = seed + self.model = model self.strategy = strategy - self.benchrun = benchrun - self.cluster = cluster - # Checkpoint every n epochs - self.checkpoint_every = checkpoint_every - - # Train and validation dataloaders - self.train_dataloader_class = dynamically_import_class( - train_dataloader_class - ) - self.validation_dataloader_class = dynamically_import_class( - validation_dataloader_class - ) - train_dataloader_kwargs = ( - train_dataloader_kwargs - if train_dataloader_kwargs is not None else {} - ) - self.train_dataloader_kwargs = clear_key( - train_dataloader_kwargs, 'train_dataloader_kwargs', 'dataset' - ) - # If validation_dataloader_kwargs is not given, - # copy train_dataloader_kwargs - validation_dataloader_kwargs = ( - validation_dataloader_kwargs if validation_dataloader_kwargs - is not None else train_dataloader_kwargs - ) - self.validation_dataloader_kwargs = clear_key( - validation_dataloader_kwargs, 'validation_dataloader_kwargs', - 'dataset' - ) - - # Optimizer and scheduler - optim_class = dynamically_import_class(optimizer_class) - optimizer_kwargs = ( - optimizer_kwargs if optimizer_kwargs is not None else {} - ) - optimizer_kwargs = clear_key( - optimizer_kwargs, 'optimizer_kwargs', 'parameters' - ) - self.optimizer: Optimizer = optim_class( - self.model.parameters(), **optimizer_kwargs - ) - if lr_scheduler_class is not None: - scheduler_class = dynamically_import_class(lr_scheduler_class) - lr_scheduler_kwargs = ( - lr_scheduler_kwargs if lr_scheduler_kwargs is not None else {} - ) - lr_scheduler_kwargs = clear_key( - lr_scheduler_kwargs, 'lr_scheduler_kwargs', 'optimizer' - ) - self.lr_scheduler: LrScheduler = scheduler_class( - self.optimizer, **lr_scheduler_kwargs - ) - - # Loggers - self.logger = logger if logger is not None else ConsoleLogger() - - # Metrics - self.train_metrics = ( - {} if train_metrics is None else train_metrics - ) - self.validation_metrics = ( - self.train_metrics if validation_metrics is None - else validation_metrics - ) + self.validation_every = validation_every + self.test_every = test_every + self.random_seed = random_seed + self.logger = logger + self.log_all_workers = log_all_workers + self.metrics = metrics if metrics is not None else {} @property - def strategy(self) -> Optional[str]: + def strategy(self) -> TorchDistributedStrategy: return self._strategy @strategy.setter - def strategy(self, strategy_name) -> None: - if strategy_name not in StrategyT: - raise ValueError( - "Unrecognized 'strategy' field. Allowed values " - f"are: {StrategyT.list()}. Received '{strategy_name}'") - self._strategy = strategy_name + def strategy(self, strategy: Union[str, TorchDistributedStrategy]) -> None: + if isinstance(strategy, TorchDistributedStrategy): + self._strategy = strategy + else: + self._strategy = self._detect_strategy(strategy) @property - def global_step(self) -> int: - return self.train_glob_step + self.validation_glob_step + def device(self) -> str: + return self.strategy.device() + + def _detect_strategy(self, strategy: str) -> TorchDistributedStrategy: + if not distributed_resources_available(): + print("WARNING: falling back to non-distributed strategy.") + dist_str = NonDistributedStrategy() + elif strategy == 'ddp': + dist_str = TorchDDPStrategy(backend='nccl') + elif strategy == 'horovod': + dist_str = HorovodStrategy() + elif strategy == 'deepspeed': + dist_str = DeepSpeedStrategy(backend='nccl') + else: + raise NotImplementedError( + f"Strategy '{strategy}' is not recognized/implemented.") + return dist_str - def set_seed(self, seed: Optional[int] = None): - """Deterministic operations for reproducibility. - Sets the random seed. + def _init_distributed_strategy(self) -> None: + if not self.strategy.is_initialized: + self.strategy.init() - Args: - seed (Optional[int], optional): if not None, overrides - `self.seed`. Defaults to None. + def create_model_loss_optimizer(self) -> None: + """ + Instantiate a torch model, loss, optimizer, and LR scheduler using the + configuration provided in the Trainer constructor. + Generally a user-define method. """ - seed = seed if seed is not None else self.seed - np.random.seed(seed) - self.torch_rng = torch.Generator() - if seed is not None: - torch.manual_seed(seed) - self.torch_rng.manual_seed(seed) - if self.cluster.is_cuda_available(): - torch.cuda.manual_seed(seed) + ################################### + # Dear user, this is a method you # + # may be interested to override! # + ################################### + + if self.model is None: + # Model was not passed to the constructor. + # Create a model here + raise ValueError( + "self.model is None! Either pass it to the constructor or " + "override this method." + ) - @monitor_exec - def execute( - self, - train_dataset: Dataset, - validation_dataset: Dataset, - model: nn.Module = None, - optimizer: Optimizer = None, - lr_scheduler: LrScheduler = None, - ) -> Any: - self.train_dataset = train_dataset - self.validation_dataset = validation_dataset - - # Update parameters passed for "interactive" use - if model is not None: - self.model = model - if optimizer is not None: - self.optimizer = optimizer - if lr_scheduler is not None: - self.lr_scheduler = lr_scheduler - - # Start training - if self.cluster.distributed: - # Make training distributed - result = mp.spawn(self._train, nprocs=self.cluster.ngpus_per_node) - else: - result = self._train(0) + # A simple NLLLoss + self.loss = nn.functional.nll_loss - # Return value compliant with Executable.execute format - return result + # TODO: improve robustness of getting from config + self.optimizer = torch.optim.SGD( + self.model.parameters(), + lr=self.config.lr, + momentum=self.config.momentum + ) + # Create self.lr_scheduler if needed - def _train( - self, - worker_id: int - ): - # Each worker has a different deterministic seed - # Here, 'worker' = replica of the training function - worker_seed = ( - self.seed + worker_id if self.seed is not None else self.seed + # IMPORTANT: model, optimizer, and scheduler need to be distributed + + # First, define strategy-wise optional configurations + # TODO: improve robustness of getting from config + if isinstance(self.strategy, DeepSpeedStrategy): + # Batch size definition is not optional for DeepSpeedStrategy! + distribute_kwargs = dict( + config_params=dict( + train_micro_batch_size_per_gpu=self.config.batch_size + ) + ) + elif isinstance(self.strategy, HorovodStrategy): + distribute_kwargs = dict( + compression=( + hvd.Compression.fp16 if self.config.fp16_allreduce + else hvd.Compression.none + ), + op=hvd.Adasum if self.config.use_adasum else hvd.Average, + gradient_predivide_factor=self.config.gradient_predivide_factor + ) + else: + distribute_kwargs = {} + + # Distributed model, optimizer, and scheduler + ( + self.model, + self.optimizer, + self.lr_scheduler + ) = self.strategy.distributed( + self.model, self.optimizer, self.lr_scheduler, **distribute_kwargs ) - self.set_seed(worker_seed) - # Instantiate dataloaders - self.train_dataloader = self._instantiate_dataloader( - dataloader_class=self.train_dataloader_class, - dataset=self.train_dataset, - init_kwargs=self.train_dataloader_kwargs + def create_dataloaders( + self, + train_dataset: Dataset, + validation_dataset: Optional[Dataset] = None, + test_dataset: Optional[Dataset] = None + ) -> None: + """ + Create train, validation and test dataloaders using the + configuration provided in the Trainer constructor. + Generally a user-define method. + + Args: + train_dataset (Dataset): training dataset object. + validation_dataset (Optional[Dataset]): validation dataset object. + Default None. + test_dataset (Optional[Dataset]): test dataset object. + Default None. + """ + + ################################### + # Dear user, this is a method you # + # may be interested to override! # + ################################### + + # TODO: improve robustness of getting from config + self.train_dataloader = self.strategy.create_dataloader( + dataset=train_dataset, + batch_size=self.config.batch_size, + num_workers=self.config.num_workers, + pin_memory=self.config.pin_memory, + generator=self.torch_rng ) - if self.validation_dataset is not None: - self.validation_dataloader = self._instantiate_dataloader( - dataloader_class=self.validation_dataloader_class, - dataset=self.validation_dataset, - init_kwargs=self.validation_dataloader_kwargs + if validation_dataset is not None: + self.validation_dataloader = self.strategy.create_dataloader( + dataset=train_dataset, + batch_size=self.config.batch_size, + num_workers=self.config.num_workers, + pin_memory=self.config.pin_memory, + generator=self.torch_rng + ) + if test_dataset is not None: + self.test_dataloader = self.strategy.create_dataloader( + dataset=train_dataset, + batch_size=self.config.batch_size, + num_workers=self.config.num_workers, + pin_memory=self.config.pin_memory, + generator=self.torch_rng ) - # Launch actual training: - - # Single worker case - if not self.cluster.distributed: - with self.cluster.init_dist_gpu(worker_id) as device: - self.device: torch.device = device - self.model = self.model.to(self.device) - self.setup_logger() - self._setup_metrics() - try: - train_result = self.train() - except Exception as exc: - print(exc) - raise exc - finally: - print("INFO: Training ended") - self.destroy_logger() - train_result = None - return train_result - - # Init / connect to distributed backend - with self.cluster.init_dist_gpu(worker_id) as device: - self.device: torch.device = device - self._distribute_model() - self.setup_logger() - self._setup_metrics() - try: - train_result = self.train() - except Exception as exc: - print(exc) - raise exc - finally: - print("INFO: Training ended") - self.destroy_logger() - train_result = None - return train_result - - def _instantiate_dataloader( + def _setup_metrics(self): + """Move metrics to current device.""" + for m_name, metric in self.metrics.items(): + self.metrics[m_name] = metric.to(self.device) + + @monitor_exec + def execute( self, - dataloader_class: Type, - dataset: Dataset, - init_kwargs: Dict - ) -> DataLoader: - """Make dataloader distributed if using distributed training strategy. + train_dataset: Dataset, + validation_dataset: Dataset, + test_dataset: Dataset + ) -> Tuple[Dataset, Dataset, Dataset, Any]: + """Prepares distributed environment and data structures + for the actual training. Args: - dataloader_class (Type): some torch DataLoader type. - dataset (Dataset): torch dataset instance. - init_kwargs (Dict): constructor args. + train_dataset (Dataset): training dataset. + validation_dataset (Dataset): validation dataset. + test_dataset (Dataset): test dataset. + + Returns: + Tuple[Dataset, Dataset, Dataset, Any]: training dataset, + validation dataset, test dataset, trained model. """ - init_kwargs['generator'] = init_kwargs.get( - 'generator', self.torch_rng - ) - init_kwargs['worker_init_fn'] = init_kwargs.get( - 'worker_init_fn', seed_worker + self.torch_rng = set_seed(self.random_seed) + self._init_distributed_strategy() + self._setup_metrics() + + self.create_dataloaders( + train_dataset=train_dataset, + validation_dataset=validation_dataset, + test_dataset=test_dataset ) + self.create_model_loss_optimizer() - if self.strategy == StrategyT.DDP.value and self.cluster.distributed: - sampler = DistributedSampler( - dataset=dataset, - num_replicas=self.cluster.global_world_size, - rank=self.cluster.global_rank, - shuffle=init_kwargs.get( - 'shuffle', False - ) - ) - # Overwrite existing sampler, if given. - # TODO: improve using wrapper: - # https://discuss.pytorch.org/t/how-to-use-my-own-sampler-when-i-already-use-distributedsampler/62143?page=2 - init_kwargs['sampler'] = sampler - if init_kwargs.get('shuffle') is not None: - # sampler option is mutually exclusive with shuffle - del init_kwargs['shuffle'] + if self.strategy.is_main_worker: + self.logger.create_logger_context() - return dataloader_class(dataset, **init_kwargs) + self.train() - def _setup_metrics(self): - for m_name, metric in self.train_metrics.items(): - self.train_metrics[m_name] = metric.to(self.device) - for m_name, metric in self.validation_metrics.items(): - self.validation_metrics[m_name] = metric.to(self.device) - - def _distribute_model(self): - if self.cluster.distributed: - # Distribute model - self.model = self.model.to(self.device) - if self.strategy == StrategyT.NONE.value: - print( - "WARNING: A GPU cluster is available but no distributed " - "strategy was given... Falling back to single worker...") - if not self.cluster.is_main_worker(): - # Use only GPU:0 for single worker - sys.exit(0) - elif self.strategy == StrategyT.DDP.value: - self.model = DDP( - self.model, - device_ids=[self.device.index], - output_device=self.device - ) - else: - raise NotImplementedError("Only DDP strategy is implemented.") - else: - raise RuntimeError( - "Trying to distribute a model when a " - "distributed cluster is not available." - ) + if self.strategy.is_main_worker: + self.logger.destroy_logger_context() + self.strategy.clean_up() + return train_dataset, validation_dataset, test_dataset, self.model - def setup_logger(self): - if self.cluster.is_main_worker(): - # Only setup loggers on main worker - if isinstance(self.logger, list): - for logger in self.logger: - logger.create_logger_context() - elif isinstance(self.logger, Logger): - self.logger.create_logger_context() - else: - raise TypeError( - "Unrecognized self.logger. Allowed types are 'list' and " - f"'Logger'. Received {type(self.logger)}" - ) - else: - self.logger = [] - - def destroy_logger(self): - if self.cluster.is_main_worker(): - if isinstance(self.logger, list): - for logger in self.logger: - logger.destroy_logger_context() - elif isinstance(self.logger, Logger): - self.logger.destroy_logger_context() - else: - raise TypeError( - "Unrecognized self.logger. Allowed types are 'list' and " - f"'Logger'. Received {type(self.logger)}" - ) + def _set_epoch_dataloaders(self, epoch: int): + """ + Sets epoch in the distributed sampler of a dataloader when using it. + """ + if self.strategy.is_distributed: + self.train_dataloader.sampler.set_epoch(epoch) + if self.validation_dataloader is not None: + self.validation_dataloader.sampler.set_epoch(epoch) + if self.test_dataloader is not None: + self.test_dataloader.sampler.set_epoch(epoch) def log( self, @@ -513,39 +335,44 @@ def log( kind: str = 'metric', step: Optional[int] = None, batch_idx: Optional[int] = None, - every_worker: bool = False, **kwargs ) -> None: - if self.cluster.is_main_worker() or every_worker: - # Only log on main worker if not specified otherwise - if isinstance(self.logger, list): - for logger in self.logger: - logger.log( - item=item, - identifier=identifier, - kind=kind, - step=step, - batch_idx=batch_idx, - **kwargs - ) - elif isinstance(self.logger, Logger): - self.logger.log( - item=item, - identifier=identifier, - kind=kind, - step=step, - batch_idx=batch_idx, - **kwargs - ) - else: - raise TypeError( - "Unrecognized self.logger. Allowed types are 'list' and " - f"'Logger'. Received {type(self.logger)}" - ) + if self.logger and ( + self.strategy.is_main_worker or self.log_all_workers): + self.logger.log( + item=item, + identifier=identifier, + kind=kind, + step=step, + batch_idx=batch_idx, + **kwargs + ) + + def train(self): + """Trains a machine learning model. + Main training loop/logic. + + Args: + train_dataset (Dataset): training dataset. + validation_dataset (Dataset): validation dataset. + test_dataset (Dataset): test dataset. + + Returns: + Tuple[Dataset, Dataset, Dataset, Any]: training dataset, + validation dataset, test dataset, trained model. + """ + # start_time = time.perf_counter() + for epoch in range(self.epochs): + epoch_n = epoch + 1 + self._set_epoch_dataloaders(epoch) + self.train_epoch() + if self.validation_every and self.validation_every % epoch_n == 0: + self.validation_epoch() + if self.test_every and self.test_every % epoch_n == 0: + self.test_epoch() def compute_metrics( self, - metrics: Dict[str, Metric], true: Batch, pred: Batch, logger_step: int, @@ -566,7 +393,7 @@ def compute_metrics( Dict[str, Any]: metric values. """ m_values = {} - for m_name, metric in metrics.items(): + for m_name, metric in self.metrics.items(): # metric = metric.to(self.device) m_val = metric(pred, true).detach().cpu().numpy() self.log( @@ -596,7 +423,6 @@ def training_step( batch_idx=batch_idx ) metrics: Dict[str, Any] = self.compute_metrics( - metrics=self.train_metrics, true=y, pred=pred_y, logger_step=self.train_glob_step, @@ -612,8 +438,9 @@ def validation_step( ) -> Tuple[Loss, Dict[str, Any]]: x, y = batch x, y = x.to(self.device), y.to(self.device) - pred_y = self.model(x) - loss: Loss = self.loss(pred_y, y) + with torch.no_grad(): + pred_y = self.model(x) + loss: Loss = self.loss(pred_y, y) self.log( item=loss.item(), identifier='validation_loss', @@ -622,7 +449,6 @@ def validation_step( batch_idx=batch_idx ) metrics: Dict[str, Any] = self.compute_metrics( - metrics=self.validation_metrics, true=y, pred=pred_y, logger_step=self.validation_glob_step, @@ -631,7 +457,7 @@ def validation_step( ) return loss, metrics - def training_epoch(self) -> Loss: + def train_epoch(self) -> Loss: self.model.train() train_losses = [] for batch_idx, train_batch in enumerate(self.train_dataloader): @@ -684,264 +510,130 @@ def validation_epoch(self) -> Loss: ) return avg_loss - def train(self): + def test_epoch(self): + # TODO: implement test epoch + raise NotImplementedError() - if self.optimizer is None: - raise ValueError("Undefined optimizer!") - - if self.loss is None: - raise ValueError("Undefined loss function!") - - st = time.time() - - # Resume state - self.start_epoch = 1 - self.best_loss = np.Inf - self.load_state() - - # start training/testing loop - if self.cluster.is_main_worker(): - print(f'TIMER: broadcast: {time.time()-st}s') - print('DEBUG: start training') - print('-'*56) - - ############################## - # Start training: run epochs # - ############################## - - et = time.time() - for self.epoch_idx in range(self.start_epoch, self.epochs + 1): - lt = time.time() - - ####################################################### - # Perform one training epoch and one validation epoch # - ####################################################### - - if self.benchrun and self.epoch_idx == self.epochs: - # TODO: move profiler into cluster environment - # profiling (done on last epoch - slower!) - with torch.autograd.profiler.profile( - use_cuda=self.cluster.is_cuda_available(), - profile_memory=True - ) as prof: - train_loss = self.training_epoch() - else: - train_loss = self.training_epoch() - val_loss = self.validation_epoch() - - ##################################### - # Save checkpoint if model improved # - ##################################### - - ref_loss = val_loss if val_loss is not None else train_loss - is_best = ref_loss < self.best_loss - if (self.epoch_idx % self.checkpoint_every == 0 - and not self.benchrun): - self.save_state( - loss_val=ref_loss, - is_best=is_best - ) - self.best_loss = min(ref_loss, self.best_loss) - - ########################### - # End of epoch operations # - ########################### - - # save first epoch timer - if self.epoch_idx == self.start_epoch: - first_ep_t = time.time()-lt - - # Final epoch - if self.epoch_idx + 1 == self.epochs: - self.train_dataloader.last_epoch = True - self.validation_dataloader.last_epoch = True - - if self.cluster.is_main_worker(): - print(f'TIMER: epoch time: {time.time()-lt}s') - if self.benchrun and self.epoch_idx == self.epochs: - print('-'*56) - print('benchmark of last epoch:') - what1 = ( - 'cuda' if self.cluster.is_cuda_available() else 'cpu' - ) - print( - prof.key_averages().table( - sort_by='self_'+str(what1)+'_time_total' - ) - ) - - ########################## - # Training has completed # - ########################## - - # save final state - if not self.benchrun: - self.save_state( - loss_val=ref_loss, - is_best=is_best - ) - if self.cluster.is_cuda_available() and self.cluster.distributed: - dist.barrier() - - ######################## - # Print training stats # - ######################## - - if self.cluster.is_main_worker(): - print('-'*56) - print('training results:') - print(f'TIMER: first epoch time: {first_ep_t}s') - print(f'TIMER: last epoch time: {time.time()-lt}s') - print( - f'TIMER: average epoch time: {(time.time()-et)/self.epochs}s') - print(f'TIMER: total epoch time: {time.time()-et}s') - if self.epoch_idx > 1: - print( - f'TIMER: total epoch-1 time: {time.time()-et-first_ep_t}s' - ) - print( - 'TIMER: average epoch-1 time: ' - f'{(time.time()-et-first_ep_t)/(self.epochs-1)}s') - if self.benchrun: - print( - f'TIMER: total epoch-2 time: {lt-first_ep_t}s') - print('TIMER: average epoch-2 time: ' - f'{(lt-first_ep_t)/(self.epochs-2)}s') - mem = int(torch.cuda.memory_reserved( - self.cluster.local_rank)/1024/1024) - print( - f'memory req: {mem} MB' - if self.cluster.is_cuda_available() - and self.cluster.distributed else 'memory req: - MB' - ) - if self.cluster.is_cuda_available(): - print( - f'memory summary:\n {torch.cuda.memory_summary(0)}') - - if self.cluster.is_main_worker(): - print(f'TIMER: final time: {time.time()-st} s') - - def save_state(self, loss_val: Any, is_best: bool): - """Save training state.""" - res_name = 'checkpoint.pth.tar' - rt = time.time() - - if (self.cluster.is_cuda_available() and self.cluster.distributed): - # find if is_best happened in any worker - is_best_m = par_allgather_obj( - is_best, self.cluster.global_world_size - ) - if any(is_best_m): - # TODO: is this strategy really good? Checkpointing when - # at least one worker improves the loss on their local - # data split is prone to overfitting, especially when - # the dataset in unbalanced! - - # find which rank is_best happened - select first rank - # if multiple - best_rank = np.where(np.array(is_best_m))[0][0] - if self.cluster.global_rank == best_rank: - self._save_sate( - epoch=self.epoch_idx+1, - loss_val=loss_val, - save_path=res_name - ) - print( - f'DEBUG: state in {self.cluster.global_rank} is ' - f'saved on epoch:{self.epoch_idx} ' - f'in {time.time()-rt} s') - else: - self._save_sate( - epoch=self.epoch_idx+1, - loss_val=loss_val, - save_path=res_name - ) - print( - f'DEBUG: state in {self.cluster.global_rank} ' - f'is saved on epoch:{self.epoch_idx} in {time.time()-rt} s') - def _save_sate( +class TorchLightningTrainer(Trainer): + """Generic trainer for torch Lightning workflows. + + Args: + config (Union[Dict, str]): (path to a) Lightning configuration + https://pytorch-lightning.readthedocs.io/en/1.6.5/common/lightning_cli.html + mlflow_saved_model (str, optional): name of the model created in + MLFlow. Defaults to 'my_model'. + """ + + def __init__( self, - epoch: int, - loss_val: Any, - save_path: str + config: Union[Dict, str], + mlflow_saved_model: str = 'my_model' ): - """Save state on disk.""" - sched = ( - self.lr_scheduler.state_dict() - if self.lr_scheduler is not None else None + self.save_parameters(**self.locals2params(locals())) + super().__init__() + if isinstance(config, str) and os.path.isfile(config): + # Load from YAML + config = load_yaml(config) + self.conf = config + self.mlflow_saved_model = mlflow_saved_model + + @monitor_exec + def execute(self) -> Any: + init_lightning_mlflow( + self.conf, + tmp_dir='/tmp', + registered_model_name=self.mlflow_saved_model ) - state = { - 'epoch': epoch, - 'state_dict': self.model.state_dict(), - 'best_loss': loss_val, - 'optimizer': self.optimizer.state_dict(), - 'lr_scheduler': sched - } - self.log( - item=state, - identifier=save_path, - kind='torch', - epoch_step=self.epoch_idx, - batch_step=0 + old_argv = sys.argv + sys.argv = ['some_script_placeholder.py'] + cli = LightningCLI( + args=self.conf, + model_class=L.LightningModule, + datamodule_class=L.LightningDataModule, + run=False, + save_config_kwargs={ + "overwrite": True, + "config_filename": "pl-training.yml", + }, + subclass_mode_model=True, + subclass_mode_data=True, ) + sys.argv = old_argv + cli.trainer.fit(cli.model, datamodule=cli.datamodule) + teardown_lightning_mlflow() - def load_state(self): - """Load training state.""" - res_name = 'checkpoint.pth.tar' - if os.path.isfile(res_name) and not self.benchrun: - try: - if (self.cluster.is_cuda_available() - and self.cluster.distributed): - dist.barrier() - # Map model to be loaded to specified single gpu. - # loc = ( - # {'cuda:%d' % 0: 'cuda:%d' % self.cluster.local_rank} - # if self.cluster.is_cuda_available() - # else {'cpu:%d' % 0: 'cpu:%d' % self.cluster.local_rank} - # ) - # checkpoint = torch.load(res_name, map_location=loc) - checkpoint = torch.load( - res_name, map_location=self.device - ) - else: - checkpoint = torch.load(res_name, map_location='cpu') - self.start_epoch = checkpoint['epoch'] - self.best_loss = checkpoint['best_loss'] - self.model.load_state_dict(checkpoint['state_dict']) - self.optimizer.load_state_dict(checkpoint['optimizer']) - if self.lr_scheduler is not None: - self.lr_scheduler.load_state_dict( - checkpoint['lr_scheduler'] - ) - if self.cluster.is_cuda_available(): - if self.cluster.is_main_worker(): - print( - f'WARNING: restarting from {self.start_epoch} ' - 'epoch') - else: - print( - f'WARNING: restarting from {self.start_epoch} epoch') - except Exception: - if self.cluster.is_cuda_available(): - if self.cluster.is_main_worker(): - print( - 'restart file cannot be loaded, restarting!') - else: - print( - 'WARNING: restart file cannot be loaded, restarting!') - - if self.start_epoch >= self.epochs + 1: - if self.cluster.is_cuda_available() and self.cluster.distributed: - if self.cluster.is_main_worker(): - print( - 'WARNING: given epochs are less than the ' - 'one in the restart file!') - print('WARNING: SYS.EXIT is issued') - sys.exit() - else: - print( - 'WARNING: given epochs are less than the ' - 'one in the restart file!') - print('WARNING: SYS.EXIT is issued') - sys.exit() + +def preproc_dataloader(dataloader: DataLoader, gwsize, grank): + """Makes a Dataloader distributed.""" + sampler = DistributedSampler( + dataloader.dataset, + num_replicas=gwsize, + rank=grank, + shuffle=True + ) + # Recreate dataloader, with updated sampler + return DataLoader( + dataloader.dataset, + batch_size=dataloader.batch_size, + sampler=sampler, + num_workers=dataloader.num_workers, + collate_fn=dataloader.collate_fn, + pin_memory=dataloader.pin_memory, + drop_last=dataloader.drop_last, + timeout=dataloader.timeout, + worker_init_fn=seed_worker, # dataloader.worker_init_fn, + multiprocessing_context=dataloader.multiprocessing_context, + generator=dataloader.generator, + prefetch_factor=dataloader.prefetch_factor, + persistent_workers=dataloader.persistent_workers, + pin_memory_device=dataloader.pin_memory_device + ) + + +def distributed(func): + """The decorated function must have a standard signature. + Its first arguments must be: + model, train_dataloader, validation_dataloader, device (in this order). + + Additional args or kwargs are allowed consistently with the signature + of the decorated function. + """ + def dist_train( + model, train_dataloader, validation_dataloader=None, device='cpu', + *args, **kwargs + ): + if torch.cuda.is_available(): + dist.init_process_group(backend='nccl') + + if torch.cuda.is_available(): + lwsize = torch.cuda.device_count() # local world size - per node + gwsize = dist.get_world_size() # global world size - per run + grank = dist.get_rank() # global rank - assign per run + lrank = dist.get_rank() % lwsize # local rank - assign per node + else: + gwsize = 1 + grank = 0 + lrank = 0 + + device = torch.device( + 'cuda' if torch.cuda.is_available() else 'cpu', lrank) + if torch.cuda.is_available(): + torch.cuda.set_device(lrank) + + model = model.to(device) + model = DDP(model, device_ids=[device], output_device=device) + + train_dataloader = preproc_dataloader(train_dataloader, gwsize, grank) + if validation_dataloader is not None: + validation_dataloader = preproc_dataloader( + validation_dataloader, gwsize, grank) + + try: + func(model, train_dataloader, validation_dataloader, device, + *args, **kwargs) + finally: + if torch.cuda.is_available(): + dist.barrier() + dist.destroy_process_group() + return dist_train diff --git a/src/itwinai/torch/types.py b/src/itwinai/torch/types.py index 614462ad..0b6f88ad 100644 --- a/src/itwinai/torch/types.py +++ b/src/itwinai/torch/types.py @@ -64,3 +64,11 @@ class TorchOptimizer(BaseEnum): """ SGD = 'SGD' ADAM = 'Adam' + + +class UninitializedStrategyError(Exception): + """Error raised when a strategy has not been initialized.""" + + +class DistributedStrategyError(Exception): + """Error raised when a strategy has already been initialized.""" diff --git a/src/itwinai/torch/utils.py b/src/itwinai/torch/utils.py deleted file mode 100644 index 99bcd246..00000000 --- a/src/itwinai/torch/utils.py +++ /dev/null @@ -1,84 +0,0 @@ -from typing import Hashable, Dict -import time -import numpy as np -import random - -import torch -import torch.distributed as dist - - -def save_state( - epoch, distrib_model, loss_val, optimizer, res_name, grank, gwsize, - is_best, distributed: bool = True -): - """Save training state""" - rt = time.time() - # find if is_best happened in any worker - if torch.cuda.is_available() and distributed: - is_best_m = par_allgather_obj(is_best, gwsize) - - if torch.cuda.is_available() and distributed: - if any(is_best_m): - # find which rank is_best happened - select first rank if multiple - is_best_rank = np.where(np.array(is_best_m))[0][0] - - # collect state - state = {'epoch': epoch + 1, - 'state_dict': distrib_model.state_dict(), - 'best_loss': loss_val, - 'optimizer': optimizer.state_dict()} - - # write on worker with is_best - if grank == is_best_rank: - torch.save(state, './'+res_name) - print(f'DEBUG: state in {grank} is saved on ' - f'epoch:{epoch} in {time.time()-rt} s') - else: - # collect state - state = {'epoch': epoch + 1, - 'state_dict': distrib_model.state_dict(), - 'best_loss': loss_val, - 'optimizer': optimizer.state_dict()} - - torch.save(state, './'+res_name) - print( - f'DEBUG: state in {grank} is saved on epoch:{epoch} ' - f'in {time.time()-rt} s') - - -def seed_worker(worker_id): - """deterministic dataloader""" - worker_seed = torch.initial_seed() % 2**32 - np.random.seed(worker_seed) - random.seed(worker_seed) - - -def par_allgather_obj(obj, gwsize): - """gathers any object from the whole group in a list (to all workers)""" - res = [None]*gwsize - dist.all_gather_object(res, obj, group=None) - # print(f'ALLGATHER: {res}') - return res - - -def clear_key( - my_dict: Dict, - dict_name: str, - key: Hashable, - complain: bool = True -) -> Dict: - """Remove key from dictionary if present and complain. - - Args: - my_dict (Dict): Dictionary. - dict_name (str): name of the dictionary. - key (Hashable): Key to remove. - """ - if key in my_dict: - if complain: - print( - f"Field '{key}' should not be present " - f"in dictionary '{dict_name}'" - ) - del my_dict[key] - return my_dict diff --git a/src/itwinai/utils.py b/src/itwinai/utils.py index 52279aeb..280de5d3 100644 --- a/src/itwinai/utils.py +++ b/src/itwinai/utils.py @@ -1,14 +1,11 @@ """ Utilities for itwinai package. """ -from typing import Dict, Type, Callable, Tuple -import os +from typing import Dict, Type, Callable, Tuple, Hashable import sys import inspect from collections.abc import MutableMapping import yaml -from omegaconf import OmegaConf -from omegaconf.dictconfig import DictConfig def load_yaml(path: str) -> Dict: @@ -32,32 +29,6 @@ def load_yaml(path: str) -> Dict: return loaded_config -def load_yaml_with_deps(path: str) -> DictConfig: - """ - Load YAML file with OmegaConf and merge it with its dependencies - specified in the `conf-dependencies` field. - Assume that the dependencies live in the same folder of the - YAML file which is importing them. - - Args: - path (str): path to YAML file. - - Raises: - exc: yaml.YAMLError for loading/parsing errors. - - Returns: - DictConfig: nested representation of parsed YAML file. - """ - yaml_conf = load_yaml(path) - use_case_dir = os.path.dirname(path) - deps = [] - if yaml_conf.get("conf-dependencies"): - for dependency in yaml_conf["conf-dependencies"]: - deps.append(load_yaml(os.path.join(use_case_dir, dependency))) - - return OmegaConf.merge(yaml_conf, *deps) - - def dynamically_import_class(name: str) -> Type: """ Dynamically import class by module path. @@ -115,18 +86,6 @@ def flatten_dict( return dict(items) -# Parse (part of) YAML loaded in memory -def parse_pipe_config(yaml_file, parser): - with open(yaml_file, "r", encoding="utf-8") as f: - try: - config = yaml.safe_load(f) - except yaml.YAMLError as exc: - print(exc) - raise exc - - return parser.parse_object(config) - - class SignatureInspector: """Provides the functionalities to inspect the signature of a function or a method. @@ -181,3 +140,42 @@ def max_params_num(self) -> int: if self.has_kwargs or self.has_varargs: return self.INFTY return len(self.func_params) + + +def str_to_slice(interval: str) -> slice: + import re + # TODO: add support for slices starting with empty index + # e.g., :20:3 + if not re.match(r"\d+(:\d+)?(:\d+)?", interval): + raise ValueError( + f"Received invalid interval for slice: '{interval}'" + ) + if ":" in interval: + return slice(*map( + lambda x: int(x.strip()) if x.strip() else None, + interval.split(':') + )) + return int(interval) + + +def clear_key( + my_dict: Dict, + dict_name: str, + key: Hashable, + complain: bool = True +) -> Dict: + """Remove key from dictionary if present and complain. + + Args: + my_dict (Dict): Dictionary. + dict_name (str): name of the dictionary. + key (Hashable): Key to remove. + """ + if key in my_dict: + if complain: + print( + f"Field '{key}' should not be present " + f"in dictionary '{dict_name}'" + ) + del my_dict[key] + return my_dict diff --git a/tests/components/test_components.py b/tests/components/test_components.py index 3ec55453..890188d7 100644 --- a/tests/components/test_components.py +++ b/tests/components/test_components.py @@ -74,11 +74,6 @@ class MyTrainer(Trainer): def execute(self): ... - def save_state(self): - ... - - def load_state(self): - ... comp = MyTrainer() with pytest.raises(SerializationError) as exc_info: dict_serializ = comp.to_dict() diff --git a/tests/test_cli.py b/tests/test_cli.py deleted file mode 100644 index 26b57cb0..00000000 --- a/tests/test_cli.py +++ /dev/null @@ -1,26 +0,0 @@ -""" -Test itwinai CLI. -""" - -import subprocess -import pytest - - -@pytest.mark.skip(reason="cli deprecated") -def test_datasets_viz(): - """ - Test visualization of use case's dataset registry. - """ - USE_CASE = "use-cases/mnist/" - subprocess.run( - f"itwinai datasets --use-case {USE_CASE}".split(), check=True) - - -@pytest.mark.skip(reason="cli deprecated") -def test_workflows_viz(): - """ - Test visualization of use case's workflows. - """ - USE_CASE = "./use-cases/mnist/" - subprocess.run( - f"itwinai workflows --use-case {USE_CASE}".split(), check=True) diff --git a/tests/use-cases/conftest.py b/tests/use-cases/conftest.py index d080e0a8..69229db6 100644 --- a/tests/use-cases/conftest.py +++ b/tests/use-cases/conftest.py @@ -2,9 +2,9 @@ from typing import Callable import pytest import subprocess +import random +import string -pytest.TORCH_PREFIX = './.venv-pytorch' -pytest.TF_PREFIX = './.venv-tf' FNAMES = [ 'pipeline.yaml', @@ -12,6 +12,52 @@ ] +def rnd_string(len: int = 26): + return ''.join(random.sample(string.ascii_lowercase, len)) + + +@pytest.fixture +def tmp_test_dir(): + root = '/tmp/pytest' + os.makedirs(root, exist_ok=True) + test_dir = os.path.join(root, rnd_string()) + while os.path.exists(test_dir): + test_dir = os.path.join(root, rnd_string()) + os.makedirs(test_dir, exist_ok=True) + + yield test_dir + + # Optional: remove dir here... + + +@pytest.fixture +def torch_env() -> str: + """ + Return absolute path to torch virtual environment parsing it + from environment variables, if provided, otherwise fall back + to ``./.venv-pytorch``. + """ + if os.environ.get('TORCH_ENV') is None: + env_p = './.venv-pytorch' + else: + env_p = os.environ.get('TORCH_ENV') + return os.path.abspath(env_p) + + +@pytest.fixture +def tf_env() -> str: + """ + Return absolute path to tensorflow virtual environment parsing it + from environment variables, if provided, otherwise fall back + to ``./.venv-tf``. + """ + if os.environ.get('TF_ENV') is None: + env_p = './.venv-tf' + else: + env_p = os.environ.get('TF_ENV') + return os.path.abspath(env_p) + + @pytest.fixture def check_folder_structure() -> Callable: """ @@ -31,7 +77,6 @@ def install_requirements() -> Callable: def _install_reqs(root: str, env_prefix: str): req_path = os.path.join(root, 'requirements.txt') if os.path.isfile(req_path): - cmd = (f"micromamba run -p {env_prefix} " - f"pip install -r {req_path}") + cmd = f"{env_prefix}/bin/pip install -r {req_path}" subprocess.run(cmd.split(), check=True) return _install_reqs diff --git a/tests/use-cases/test_3dgan.py b/tests/use-cases/test_3dgan.py index c57e21ff..9d19d1f3 100644 --- a/tests/use-cases/test_3dgan.py +++ b/tests/use-cases/test_3dgan.py @@ -3,73 +3,70 @@ """ import pytest import subprocess -# from itwinai.utils import dynamically_import_class +import os CERN_PATH = "use-cases/3dgan" -CKPT_PATH = "3dgan-inference.pth" - - -@pytest.fixture(scope="module") -def fake_model_checkpoint() -> None: - """ - Create a dummy model checkpoint for inference. - """ - import sys - import torch - sys.path.append(CERN_PATH) - from model import ThreeDGAN - # ThreeDGAN = dynamically_import_class('model.ThreeDGAN') - net = ThreeDGAN() - torch.save(net, CKPT_PATH) +CKPT_NAME = "3dgan-inference.pth" +@pytest.mark.skip("deprecated") def test_structure_3dgan(check_folder_structure): """Test 3DGAN folder structure.""" check_folder_structure(CERN_PATH) @pytest.mark.functional -def test_3dgan_train(install_requirements): +def test_3dgan_train(torch_env, tmp_test_dir, install_requirements): """ Test 3DGAN torch lightning trainer by running it end-to-end. """ - install_requirements(CERN_PATH, pytest.TORCH_PREFIX) - # cmd = (f"micromamba run -p {pytest.TORCH_PREFIX} python " - # f"{CERN_PATH}/train.py -p {CERN_PATH}/pipeline.yaml") + install_requirements(CERN_PATH, torch_env) + conf = os.path.join(os.path.abspath(CERN_PATH), 'pipeline.yaml') trainer_params = "pipeline.init_args.steps.training_step.init_args" - cmd = (f"micromamba run -p {pytest.TORCH_PREFIX} itwinai exec-pipeline " - f"--config {CERN_PATH}/pipeline.yaml " + cmd = (f"{torch_env}/bin/itwinai exec-pipeline " + f"--config {conf} " f'-o {trainer_params}.config.trainer.accelerator=cpu ' f'-o {trainer_params}.config.trainer.strategy=auto ' ) - subprocess.run(cmd.split(), check=True) + subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) @pytest.mark.functional -def test_3dgan_inference(install_requirements, fake_model_checkpoint): +def test_3dgan_inference( + torch_env, + tmp_test_dir, + install_requirements, + # fake_model_checkpoint +): """ Test 3DGAN torch lightning trainer by running it end-to-end. """ - install_requirements(CERN_PATH, pytest.TORCH_PREFIX) - # cmd = (f"micromamba run -p {pytest.TORCH_PREFIX} python " - # f"{CERN_PATH}/train.py -p {CERN_PATH}/pipeline.yaml") - # cmd = (f"micromamba run -p {pytest.TORCH_PREFIX} itwinai exec-pipeline " - # f"--config {CERN_PATH}/inference-pipeline.yaml") + install_requirements(CERN_PATH, torch_env) + + # Create fake inference dataset and checkpoint + exec = os.path.join(os.path.abspath(CERN_PATH), + 'create_inference_sample.py') + cmd = (f"{torch_env}/bin/python {exec} " + f"--root {tmp_test_dir} " + f"--ckpt-name {CKPT_NAME}") + subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) + # Test inference + conf = os.path.join(os.path.abspath(CERN_PATH), 'inference-pipeline.yaml') getter_params = "pipeline.init_args.steps.dataloading_step.init_args" trainer_params = "pipeline.init_args.steps.inference_step.init_args" logger_params = trainer_params + ".config.trainer.logger.init_args" data_params = trainer_params + ".config.data.init_args" saver_params = "pipeline.init_args.steps.saver_step.init_args" cmd = ( - 'itwinai exec-pipeline ' - '--config use-cases/3dgan/inference-pipeline.yaml ' + f'{torch_env}/bin/itwinai exec-pipeline ' + f'--config {conf} ' f'-o {getter_params}.data_path=exp_data ' - f'-o {trainer_params}.model.init_args.model_uri={CKPT_PATH} ' - f'-o {trainer_params}.config.trainer.accelerator=cpu ' + f'-o {trainer_params}.model.init_args.model_uri={CKPT_NAME} ' + f'-o {trainer_params}.config.trainer.accelerator=auto ' f'-o {trainer_params}.config.trainer.strategy=auto ' f'-o {logger_params}.save_dir=ml_logs/mlflow_logs ' f'-o {data_params}.datapath=exp_data/*/*.h5 ' f'-o {saver_params}.save_dir=3dgan-generated-data ' ) - subprocess.run(cmd.split(), check=True) + subprocess.run(cmd.split(), check=True, cwd=CERN_PATH) diff --git a/tests/use-cases/test_cyclones.py b/tests/use-cases/test_cyclones.py index 1a5ebb3f..d6a1ea2c 100644 --- a/tests/use-cases/test_cyclones.py +++ b/tests/use-cases/test_cyclones.py @@ -7,10 +7,12 @@ import pytest import subprocess +import os CYCLONES_PATH = "use-cases/cyclones" +@pytest.mark.skip("deprecated") def test_structure_cyclones(check_folder_structure): """Test cyclones folder structure.""" check_folder_structure(CYCLONES_PATH) @@ -18,11 +20,14 @@ def test_structure_cyclones(check_folder_structure): @pytest.mark.functional @pytest.mark.memory_heavy -def test_cyclones_train_tf(install_requirements): +def test_cyclones_train_tf(tf_env, tmp_test_dir, install_requirements): """ Test Cyclones tensorflow trainer by running it end-to-end. """ - install_requirements(CYCLONES_PATH, pytest.TF_PREFIX) - cmd = (f"micromamba run -p {pytest.TF_PREFIX} python " - f"{CYCLONES_PATH}/train.py -p {CYCLONES_PATH}/pipeline.yaml") - subprocess.run(cmd.split(), check=True) + # TODO: create a small sample dataset for tests only + install_requirements(CYCLONES_PATH, tf_env) + pipe = os.path.join(os.path.abspath(CYCLONES_PATH), 'pipeline.yaml') + train = os.path.join(os.path.abspath(CYCLONES_PATH), 'train.py') + cmd = (f"{tf_env}/bin/python {train} " + f"-p {pipe}") + subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) diff --git a/tests/use-cases/test_mnist.py b/tests/use-cases/test_mnist.py index d32aab1c..1f18a8e6 100644 --- a/tests/use-cases/test_mnist.py +++ b/tests/use-cases/test_mnist.py @@ -7,72 +7,100 @@ import pytest import subprocess +import os +# from itwinai.cli import exec_pipeline TORCH_PATH = "use-cases/mnist/torch" LIGHTNING_PATH = "use-cases/mnist/torch-lightning" TF_PATH = "use-cases/mnist/tensorflow" +@pytest.mark.skip(reason="structure changed") def test_structure_mnist_torch(check_folder_structure): """Test MNIST folder structure for torch native trainer.""" check_folder_structure(TORCH_PATH) +@pytest.mark.skip(reason="structure changed") def test_structure_mnist_lightning(check_folder_structure): """Test MNIST folder structure for torch lightning trainer.""" check_folder_structure(LIGHTNING_PATH) +@pytest.mark.skip(reason="structure changed") def test_structure_mnist_tf(check_folder_structure): """Test MNIST folder structure for tensorflow trainer.""" check_folder_structure(TF_PATH) @pytest.mark.functional -def test_mnist_train_torch(install_requirements): +def test_mnist_train_torch(torch_env, tmp_test_dir, install_requirements): """ Test MNIST torch native trainer by running it end-to-end. + + To set the torch env path set the ``TORCH_ENV`` env variable: + + >>> export TORCH_ENV="my_env" """ - install_requirements(TORCH_PATH, pytest.TORCH_PREFIX) - cmd = (f"micromamba run -p {pytest.TORCH_PREFIX} python " - f"{TORCH_PATH}/train.py -p {TORCH_PATH}/pipeline.yaml") - subprocess.run(cmd.split(), check=True) + install_requirements(TORCH_PATH, torch_env) + conf = os.path.join(os.path.abspath(TORCH_PATH), 'config.yaml') + cmd = (f"{torch_env}/bin/itwinai exec-pipeline " + f"--config {conf} --pipe-key training_pipeline") + subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) @pytest.mark.functional -def test_mnist_train_lightning(install_requirements): +def test_mnist_inference_torch(torch_env, tmp_test_dir, install_requirements): """ - Test MNIST torch lightning trainer by running it end-to-end. + Test MNIST torch native inference by running it end-to-end. + + To set the torch env path set the ``TORCH_ENV`` env variable: + + >>> export TORCH_ENV="my_env" """ - install_requirements(TORCH_PATH, pytest.TORCH_PREFIX) - cmd = (f"micromamba run -p {pytest.TORCH_PREFIX} python " - f"{LIGHTNING_PATH}/train.py -p {LIGHTNING_PATH}/pipeline.yaml") - subprocess.run(cmd.split(), check=True) + install_requirements(TORCH_PATH, torch_env) + + # Create fake inference dataset and checkpoint + exec = os.path.join(os.path.abspath(TORCH_PATH), + 'create_inference_sample.py') + cmd = (f"{torch_env}/bin/python {exec} " + f"--root {tmp_test_dir}") + subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) + + # Test inference + conf = os.path.join(os.path.abspath(TORCH_PATH), 'config.yaml') + cmd = (f"{torch_env}/bin/itwinai exec-pipeline " + f"--config {conf} --pipe-key inference_pipeline") + subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) @pytest.mark.functional -def test_mnist_train_tf(install_requirements): +def test_mnist_train_torch_lightning( + torch_env, + tmp_test_dir, + install_requirements +): """ - Test MNIST tensorflow trainer by running it end-to-end. + Test MNIST torch lightning trainer by running it end-to-end. + + To set the torch env path set the ``TORCH_ENV`` env variable: + + >>> export TORCH_ENV="my_env" """ - install_requirements(TF_PATH, pytest.TF_PREFIX) - cmd = (f"micromamba run -p {pytest.TF_PREFIX} python " - f"{TF_PATH}/train.py -p {TF_PATH}/pipeline.yaml") - subprocess.run(cmd.split(), check=True) + install_requirements(LIGHTNING_PATH, torch_env) + conf = os.path.join(os.path.abspath(LIGHTNING_PATH), 'config.yaml') + cmd = (f"{torch_env}/bin/itwinai exec-pipeline " + f"--config {conf} --pipe-key training_pipeline") + subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) -@pytest.mark.skip(reason="workflow changed. Left as example") -@pytest.mark.integration -def test_mnist_train_legacy(): +@pytest.mark.functional +def test_mnist_train_tf(tf_env, tmp_test_dir, install_requirements): """ - Test MNIST training workflow(s) by running it end-to-end. + Test MNIST tensorflow trainer by running it end-to-end. """ - workflows = [ - "./use-cases/mnist/torch/workflows/training-workflow.yml", - "./use-cases/mnist/tensorflow/workflows/training-workflow.yml", - ] - - for workflow in workflows: - cmd = f"micromamba run -p ./.venv python run-workflow.py -f {workflow}" - subprocess.run(cmd.split(), check=True) - subprocess.run(cmd.split() + ["--cwl"], check=True) + install_requirements(TF_PATH, tf_env) + conf = os.path.join(os.path.abspath(TF_PATH), 'pipeline.yaml') + cmd = (f"{tf_env}/bin/itwinai exec-pipeline " + f"--config {conf} --pipe-key pipeline") + subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) diff --git a/tutorials/distributed-ml/torch-scaling-test/README.md b/tutorials/distributed-ml/torch-scaling-test/README.md index 74e316c0..1344504e 100644 --- a/tutorials/distributed-ml/torch-scaling-test/README.md +++ b/tutorials/distributed-ml/torch-scaling-test/README.md @@ -38,11 +38,16 @@ setting SLURM environment variables using the `--export` option: ```bash # Launch a distributed training setup with Torch DDP -DIST_MODE="ddp" -RUN_NAME="ddp-bl-imagenent" -TRAINING_CMD="ddp_trainer.py -c config/base.yaml -c config/ddp.yaml" -sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD" \ - --job-name="$RUN_NAME" slurm.sh +export DIST_MODE="ddp" +export RUN_NAME="ddp-bl-imagenent" +export TRAINING_CMD="ddp_trainer.py -c config/base.yaml -c config/ddp.yaml" +export PYTHON_VENV="../../../envAI_hdfml" +export N=2 # Number of nodes +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + --nodes=$N slurm.sh ``` ## Run all training configurations diff --git a/tutorials/distributed-ml/torch-scaling-test/ddp_trainer.py b/tutorials/distributed-ml/torch-scaling-test/ddp_trainer.py index 54f64fef..0a25ae5b 100755 --- a/tutorials/distributed-ml/torch-scaling-test/ddp_trainer.py +++ b/tutorials/distributed-ml/torch-scaling-test/ddp_trainer.py @@ -18,8 +18,11 @@ from itwinai.parser import ArgumentParser as ItAIArgumentParser from itwinai.loggers import EpochTimeTracker +from itwinai.torch.reproducibility import ( + seed_worker, set_seed +) -from utils import seed_worker, imagenet_dataset, set_seed +from utils import imagenet_dataset def parse_params(): @@ -121,7 +124,7 @@ def main(): dist.init_process_group(backend=args.backend) # Set random seed for reproducibility - torch_prng = set_seed(args.rnd_seed, use_cuda) + torch_prng = set_seed(args.rnd_seed, deterministic_cudnn=False) if is_distributed: # get job rank info - rank==0 master gpu diff --git a/tutorials/distributed-ml/torch-scaling-test/deepspeed_trainer.py b/tutorials/distributed-ml/torch-scaling-test/deepspeed_trainer.py index 691712e8..e6022021 100644 --- a/tutorials/distributed-ml/torch-scaling-test/deepspeed_trainer.py +++ b/tutorials/distributed-ml/torch-scaling-test/deepspeed_trainer.py @@ -18,8 +18,11 @@ from itwinai.parser import ArgumentParser as ItAIArgumentParser from itwinai.loggers import EpochTimeTracker +from itwinai.torch.reproducibility import ( + seed_worker, set_seed +) -from utils import seed_worker, set_seed, imagenet_dataset +from utils import imagenet_dataset def parse_params(): @@ -124,7 +127,7 @@ def main(): deepspeed.init_distributed(dist_backend=args.backend) # Set random seed for reproducibility - torch_prng = set_seed(args.rnd_seed, use_cuda) + torch_prng = set_seed(args.rnd_seed, deterministic_cudnn=False) if is_distributed: # Get job rank info - rank==0 master gpu @@ -248,7 +251,7 @@ def main(): print('TIMER: epoch time:', timer()-lt, 's') epoch_time_tracker.add_epoch_time(epoch-1, timer()-lt) - if torch.cuda.is_available(): + if is_distributed: dist.barrier() if grank == 0: diff --git a/tutorials/distributed-ml/torch-scaling-test/horovod_trainer.py b/tutorials/distributed-ml/torch-scaling-test/horovod_trainer.py index 501b545c..a4c3eaa4 100755 --- a/tutorials/distributed-ml/torch-scaling-test/horovod_trainer.py +++ b/tutorials/distributed-ml/torch-scaling-test/horovod_trainer.py @@ -19,8 +19,11 @@ from itwinai.parser import ArgumentParser as ItAIArgumentParser from itwinai.loggers import EpochTimeTracker +from itwinai.torch.reproducibility import ( + seed_worker, set_seed +) -from utils import imagenet_dataset, seed_worker, set_seed +from utils import imagenet_dataset def parse_params(): @@ -129,7 +132,7 @@ def main(): hvd.init() # Set random seed for reproducibility - torch_prng = set_seed(args.rnd_seed, use_cuda) + torch_prng = set_seed(args.rnd_seed, deterministic_cudnn=False) # is_main_worker = True # if is_distributed and (hvd.rank() != 0 or hvd.local_rank() != 0): diff --git a/tutorials/distributed-ml/torch-scaling-test/img/report.png b/tutorials/distributed-ml/torch-scaling-test/img/report.png index 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a/tutorials/distributed-ml/torch-scaling-test/itwinai_trainer.py +++ b/tutorials/distributed-ml/torch-scaling-test/itwinai_trainer.py @@ -21,14 +21,17 @@ from itwinai.torch.distributed import ( TorchDistributedStrategy, - DDPDistributedStrategy, - HVDDistributedStrategy, - DSDistributedStrategy, + TorchDDPStrategy, + HorovodStrategy, + DeepSpeedStrategy, ) from itwinai.parser import ArgumentParser as ItAIArgumentParser from itwinai.loggers import EpochTimeTracker +from itwinai.torch.reproducibility import ( + seed_worker, set_seed +) -from utils import seed_worker, imagenet_dataset, set_seed +from utils import imagenet_dataset def parse_params() -> argparse.Namespace: @@ -116,8 +119,8 @@ def train( model.train() t_list = [] loss_acc = 0 - gwsize = strategy.dist_gwsize() - if strategy.is_main_worker(): + gwsize = strategy.global_world_size() + if strategy.is_main_worker: print("\n") for batch_idx, (data, target) in enumerate(train_loader): t = timer() @@ -127,7 +130,7 @@ def train( loss = F.nll_loss(output, target) loss.backward() optimizer.step() - if (strategy.is_main_worker() and args.log_int > 0 + if (strategy.is_main_worker and args.log_int > 0 and batch_idx % args.log_int == 0): print( f'Train epoch: {epoch} ' @@ -136,7 +139,7 @@ def train( f'Loss: {loss.item():.6f}') t_list.append(timer() - t) loss_acc += loss.item() - if strategy.is_main_worker(): + if strategy.is_main_worker: print('TIMER: train time', sum(t_list) / len(t_list), 's') return loss_acc @@ -151,10 +154,10 @@ def main(): or not torch.cuda.device_count() > 1): raise RuntimeError('Resources unavailable') - strategy = DDPDistributedStrategy(backend=args.backend) + strategy = TorchDDPStrategy(backend=args.backend) distribute_kwargs = {} elif args.strategy == 'horovod': - strategy = HVDDistributedStrategy() + strategy = HorovodStrategy() distribute_kwargs = dict( compression=( hvd.Compression.fp16 if args.fp16_allreduce @@ -164,7 +167,7 @@ def main(): gradient_predivide_factor=args.gradient_predivide_factor ) elif args.strategy == 'deepspeed': - strategy = DSDistributedStrategy(backend=args.backend) + strategy = DeepSpeedStrategy(backend=args.backend) distribute_kwargs = dict( config_params=dict(train_micro_batch_size_per_gpu=args.batch_size) ) @@ -182,19 +185,19 @@ def main(): # Limit # of CPU threads to be used per worker # torch.set_num_threads(1) - # start the timer for profiling + # Start the timer for profiling st = timer() # Set random seed for reproducibility - torch_prng = set_seed(args.rnd_seed, use_cuda) + torch_prng = set_seed(args.rnd_seed, deterministic_cudnn=False) - # get job rank info - rank==0 master gpu + # Get job rank info - rank==0 master gpu if is_distributed: # local world size - per node - lwsize = strategy.dist_lwsize() # local world size - per run - gwsize = strategy.dist_gwsize() # global world size - per run - grank = strategy.dist_grank() # global rank - assign per run - lrank = strategy.dist_lrank() # local rank - assign per node + lwsize = strategy.local_world_size() # local world size - per run + gwsize = strategy.global_world_size() # global world size - per run + grank = strategy.global_rank() # global rank - assign per run + lrank = strategy.local_rank() # local rank - assign per node else: # Use a single worker (either on GPU or CPU) lwsize = 1 @@ -202,7 +205,7 @@ def main(): grank = 0 lrank = 0 - if strategy.is_main_worker(): + if strategy.is_main_worker: print('TIMER: initialise:', timer()-st, 's') print('DEBUG: local ranks:', lwsize, '/ global ranks:', gwsize) print('DEBUG: sys.version:', sys.version) @@ -221,7 +224,7 @@ def main(): # Encapsulate the model on the GPU assigned to the current process device = torch.device( - strategy.dist_device() if use_cuda and torch.cuda.is_available() + strategy.device() if use_cuda else 'cpu') if use_cuda: torch.cuda.set_device(lrank) @@ -263,7 +266,7 @@ def main(): ) # Start training loop - if strategy.is_main_worker(): + if strategy.is_main_worker: print('TIMER: broadcast:', timer()-st, 's') print('\nDEBUG: start training') print('--------------------------------------------------------') @@ -302,11 +305,11 @@ def main(): if epoch + 1 == args.epochs: train_loader.last_epoch = True - if strategy.is_main_worker(): + if strategy.is_main_worker: print('TIMER: epoch time:', timer()-lt, 's') epoch_time_tracker.add_epoch_time(epoch-1, timer()-lt) - if strategy.is_main_worker(): + if strategy.is_main_worker: print('\n--------------------------------------------------------') print('DEBUG: training results:\n') print('TIMER: first epoch time:', first_ep_t, ' s') @@ -327,7 +330,7 @@ def main(): print(f'TIMER: final time: {timer()-st} s\n') time.sleep(1) - print(f" - TRAINING FINISHED") + print(f" - TRAINING FINISHED") # Clean-up if is_distributed: diff --git a/tutorials/distributed-ml/torch-scaling-test/runall.sh b/tutorials/distributed-ml/torch-scaling-test/runall.sh index 4f9efdcf..22958c16 100644 --- a/tutorials/distributed-ml/torch-scaling-test/runall.sh +++ b/tutorials/distributed-ml/torch-scaling-test/runall.sh @@ -15,47 +15,75 @@ else fi # Common options -CMD="--nodes=$N --time=$T --account=atmo-rep --partition=booster slurm.sh" -PYTHON_VENV="../../../envAI_juwels" +CMD="--nodes=$N --time=$T --account=intertwin --partition=batch slurm.sh" +PYTHON_VENV="../../../envAI_hdfml" echo "Distributing training over $N nodes. Timeout set to: $T" +# Clear SLURM logs (*.out and *.err files) rm -rf logs_slurm mkdir logs_slurm -rm *.out *.err *.csv #*checkpoint.pth.tar +rm -rf logs_torchrun + +# Clear scaling test logs +rm *.csv # *checkpoint.pth.tar # DDP baseline DIST_MODE="ddp" RUN_NAME="ddp-bl-imagenent" TRAINING_CMD="ddp_trainer.py -c config/base.yaml -c config/ddp.yaml" -sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" --job-name="$RUN_NAME-n$N" $CMD +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + $CMD # DeepSpeed baseline DIST_MODE="deepspeed" RUN_NAME="deepspeed-bl-imagenent" TRAINING_CMD="deepspeed_trainer.py -c config/base.yaml -c config/deepspeed.yaml" -sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" --job-name="$RUN_NAME-n$N" $CMD +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + $CMD # Horovod baseline DIST_MODE="horovod" RUN_NAME="horovod-bl-imagenent" TRAINING_CMD="horovod_trainer.py -c config/base.yaml -c config/horovod.yaml" -sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" --job-name="$RUN_NAME-n$N" $CMD +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + $CMD # DDP itwinai DIST_MODE="ddp" RUN_NAME="ddp-itwinai-imagenent" TRAINING_CMD="itwinai_trainer.py -c config/base.yaml -c config/ddp.yaml -s ddp" -sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" --job-name="$RUN_NAME-n$N" $CMD +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + $CMD # DeepSpeed itwinai DIST_MODE="deepspeed" RUN_NAME="deepspeed-itwinai-imagenent" TRAINING_CMD="itwinai_trainer.py -c config/base.yaml -c config/deepspeed.yaml -s deepspeed" -sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" --job-name="$RUN_NAME-n$N" $CMD +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + $CMD # Horovod itwinai DIST_MODE="horovod" RUN_NAME="horovod-itwinai-imagenent" TRAINING_CMD="itwinai_trainer.py -c config/base.yaml -c config/horovod.yaml -s horovod" -sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" --job-name="$RUN_NAME-n$N" $CMD \ No newline at end of file +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + $CMD \ No newline at end of file diff --git a/tutorials/distributed-ml/torch-scaling-test/slurm.sh b/tutorials/distributed-ml/torch-scaling-test/slurm.sh index 93dd4349..c53e3da5 100644 --- a/tutorials/distributed-ml/torch-scaling-test/slurm.sh +++ b/tutorials/distributed-ml/torch-scaling-test/slurm.sh @@ -15,7 +15,7 @@ #SBATCH --partition=batch #SBATCH --nodes=2 #SBATCH --gpus-per-node=4 -#SBATCH --cpus-per-gpu=8 +#SBATCH --cpus-per-gpu=4 #SBATCH --exclusive # gres options have to be disabled for deepv @@ -72,13 +72,13 @@ else source $PYTHON_VENV/bin/activate fi +# Get GPUs info per node +srun --cpu-bind=none --ntasks-per-node=1 bash -c 'echo -e "NODE hostname: $(hostname)\n$(nvidia-smi)\n\n"' + # Launch training if [ "$DIST_MODE" == "ddp" ] ; then echo "DDP training: $TRAINING_CMD" srun --cpu-bind=none --ntasks-per-node=1 \ - --job-name="$RUN_NAME-n$SLURM_NNODES" \ - --output="logs_slurm/job-$RUN_NAME-n$SLURM_NNODES.out" \ - --error="logs_slurm/job-$RUN_NAME-n$SLURM_NNODES.err" \ bash -c "torchrun \ --log_dir='logs_torchrun' \ --nnodes=$SLURM_NNODES \ @@ -95,9 +95,6 @@ elif [ "$DIST_MODE" == "deepspeed" ] ; then export MASTER_PORT=29500 srun --cpu-bind=none --ntasks-per-node=$SLURM_GPUS_PER_NODE --cpus-per-task=$SLURM_CPUS_PER_GPU \ - --job-name="$RUN_NAME-n$SLURM_NNODES" \ - --output="logs_slurm/job-$RUN_NAME-n$SLURM_NNODES.out" \ - --error="logs_slurm/job-$RUN_NAME-n$SLURM_NNODES.err" \ python -u $TRAINING_CMD --deepspeed # # Run with deepspeed launcher: set --ntasks-per-node=1 @@ -112,9 +109,6 @@ elif [ "$DIST_MODE" == "deepspeed" ] ; then elif [ "$DIST_MODE" == "horovod" ] ; then echo "HOROVOD training: $TRAINING_CMD" srun --cpu-bind=none --ntasks-per-node=$SLURM_GPUS_PER_NODE --cpus-per-task=$SLURM_CPUS_PER_GPU \ - --job-name="$RUN_NAME-imagenet-n$SLURM_NNODES" \ - --output="logs_slurm/job-$RUN_NAME-n$SLURM_NNODES.out" \ - --error="logs_slurm/job-$RUN_NAME-n$SLURM_NNODES.err" \ python -u $TRAINING_CMD else >&2 echo "ERROR: unrecognized \$DIST_MODE env variable" diff --git a/tutorials/distributed-ml/torch-scaling-test/utils.py b/tutorials/distributed-ml/torch-scaling-test/utils.py index cbd6aace..a5dc591e 100644 --- a/tutorials/distributed-ml/torch-scaling-test/utils.py +++ b/tutorials/distributed-ml/torch-scaling-test/utils.py @@ -1,40 +1,6 @@ -from typing import Optional -import numpy as np -import random - -import torch from torchvision import datasets, transforms -def seed_worker(worker_id): - worker_seed = torch.initial_seed() % 2**32 - np.random.seed(worker_seed) - random.seed(worker_seed) - - -def set_seed(rnd_seed: Optional[int], use_cuda: bool) -> torch.Generator: - """Set torch random seed and return a PRNG object. - - Args: - rnd_seed (Optional[int]): random seed. If None, the seed is not set. - use_cuda (bool): whether GPU is available. - - Returns: - torch.Generator: PRNG object. - """ - g = torch.Generator() - if rnd_seed is not None: - # Deterministic execution - np.random.seed(rnd_seed) - random.seed(rnd_seed) - torch.manual_seed(rnd_seed) - g.manual_seed(rnd_seed) - if use_cuda: - torch.cuda.manual_seed(rnd_seed) - torch.cuda.manual_seed_all(rnd_seed) - return g - - def imagenet_dataset(data_root: str): """Create a torch dataset object for Imagenet.""" transform = transforms.Compose([ diff --git a/tutorials/distributed-ml/torch-tutorial-0-basics/README.md b/tutorials/distributed-ml/torch-tutorial-0-basics/README.md index 5ddcd635..43d42565 100644 --- a/tutorials/distributed-ml/torch-tutorial-0-basics/README.md +++ b/tutorials/distributed-ml/torch-tutorial-0-basics/README.md @@ -23,19 +23,43 @@ should be used to run it: If you want to distribute the code in `train.py` with **torch DDP**, run from terminal: ```bash -sbatch ddp_slurm.sh +export DIST_MODE="ddp" +export RUN_NAME="ddp-itwinai" +export TRAINING_CMD="train.py -s ddp" +export PYTHON_VENV="../../../envAI_hdfml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh ``` If you want to distribute the code in `train.py` with **DeepSpeed**, run from terminal: ```bash -sbatch deepspeed_slurm.sh +export DIST_MODE="deepspeed" +export RUN_NAME="deepspeed-itwinai" +export TRAINING_CMD="train.py -s deepspeed" +export PYTHON_VENV="../../../envAI_hdfml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh ``` If you want to distribute the code in `train.py` with **Horovod**, run from terminal: ```bash -sbatch hvd_slurm.sh +export DIST_MODE="deepspeed" +export RUN_NAME="deepspeed-itwinai" +export TRAINING_CMD="train.py -s deepspeed" +export PYTHON_VENV="../../../envAI_hdfml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh ``` You can run all of them with: diff --git a/tutorials/distributed-ml/torch-tutorial-0-basics/ddp_slurm.sh b/tutorials/distributed-ml/torch-tutorial-0-basics/ddp_slurm.sh deleted file mode 100644 index 1b53f04c..00000000 --- a/tutorials/distributed-ml/torch-tutorial-0-basics/ddp_slurm.sh +++ /dev/null @@ -1,66 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_DDP_tutorial-0 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-ddp.out -#SBATCH --error=job-ddp.err -#SBATCH --time=00:15:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=1 -#SBATCH --cpus-per-task=32 -#SBATCH --gpus-per-node=4 -# SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set comm -export CUDA_VISIBLE_DEVICES="0,1,2,3" -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi - -# launch training -TRAINING_CMD="train.py -s ddp" - -srun --cpu-bind=none bash -c "torchrun \ - --log_dir='logs' \ - --nnodes=$SLURM_NNODES \ - --nproc_per_node=$SLURM_GPUS_PER_NODE \ - --rdzv_id=$SLURM_JOB_ID \ - --rdzv_conf=is_host=\$(((SLURM_NODEID)) && echo 0 || echo 1) \ - --rdzv_backend=c10d \ - --rdzv_endpoint='$(scontrol show hostnames "$SLURM_JOB_NODELIST" | head -n 1)'i:29500 \ - $TRAINING_CMD" - diff --git a/tutorials/distributed-ml/torch-tutorial-0-basics/deepspeed_slurm.sh b/tutorials/distributed-ml/torch-tutorial-0-basics/deepspeed_slurm.sh deleted file mode 100644 index b12009de..00000000 --- a/tutorials/distributed-ml/torch-tutorial-0-basics/deepspeed_slurm.sh +++ /dev/null @@ -1,75 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_DeepSpeed_tutorial-0 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-ds.out -#SBATCH --error=job-ds.err -#SBATCH --time=00:15:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=4 -#SBATCH --gpus-per-node=4 -# SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set env vars -export SRUN_CPUS_PER_TASK=${SLURM_CPUS_PER_TASK} -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi -export CUDA_VISIBLE_DEVICES="0,1,2,3" - -# launch training -MASTER_ADDR=$(scontrol show hostnames "\$SLURM_JOB_NODELIST" | head -n 1)i -export MASTER_ADDR -export MASTER_PORT=29500 - -TRAINING_CMD="train.py -s deepspeed" - -# Run without launcher: set --ntasks-per-node=NUM_GPUS -srun --cpu-bind=none python -u $TRAINING_CMD #--deepspeed - -# srun pwd - -# # Run with deepspeed launcher: set --ntasks-per-node=1 -# # https://www.deepspeed.ai/getting-started/#multi-node-environment-variables -# export NCCL_IB_DISABLE=1 -# export NCCL_SOCKET_IFNAME=eth0 -# nodelist=$(scontrol show hostname $SLURM_NODELIST) -# echo "$nodelist" | sed -e 's/$/ slots=4/' > .hostfile -# # Requires passwordless SSH access among compute node -# srun --cpu-bind=none deepspeed --hostfile=.hostfile $TRAINING_CMD --deepspeed -# rm .hostfile \ No newline at end of file diff --git a/tutorials/distributed-ml/torch-tutorial-0-basics/hvd_slurm.sh b/tutorials/distributed-ml/torch-tutorial-0-basics/hvd_slurm.sh deleted file mode 100644 index a2a06e6c..00000000 --- a/tutorials/distributed-ml/torch-tutorial-0-basics/hvd_slurm.sh +++ /dev/null @@ -1,60 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_HVD_tutorial-0 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-hvd.out -#SBATCH --error=job-hvd.err -#SBATCH --time=00:15:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=8 -#SBATCH --gpus-per-node=4 -# SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set vars -# export NCCL_DEBUG=INFO -export SRUN_CPUS_PER_TASK=${SLURM_CPUS_PER_TASK} -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi -export CUDA_VISIBLE_DEVICES="0,1,2,3" - -# launch training -TRAINING_CMD="train.py -s horovod" - -srun --cpu-bind=none python -u $TRAINING_CMD - diff --git a/tutorials/distributed-ml/torch-tutorial-0-basics/runall.sh b/tutorials/distributed-ml/torch-tutorial-0-basics/runall.sh index 17c0f190..48a8f1e0 100644 --- a/tutorials/distributed-ml/torch-tutorial-0-basics/runall.sh +++ b/tutorials/distributed-ml/torch-tutorial-0-basics/runall.sh @@ -1,6 +1,39 @@ #!/bin/bash -# Run all versions of distributed ML -rm *.out *.err -echo "Torch DDP training: $(sbatch ddp_slurm.sh)" -echo "DeepSpeed training: $(sbatch deepspeed_slurm.sh)" -echo "Horovod training: $(sbatch hvd_slurm.sh)" \ No newline at end of file + +# Python virtual environment +PYTHON_VENV="../../../envAI_hdfml" + +# Clear SLURM logs (*.out and *.err files) +rm -rf logs_slurm +mkdir logs_slurm +rm -rf logs_torchrun + +# DDP itwinai +DIST_MODE="ddp" +RUN_NAME="ddp-itwinai" +TRAINING_CMD="train.py -s ddp" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh + +# DeepSpeed itwinai +DIST_MODE="deepspeed" +RUN_NAME="deepspeed-itwinai" +TRAINING_CMD="train.py -s deepspeed" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh + +# Horovod itwinai +DIST_MODE="horovod" +RUN_NAME="horovod-itwinai" +TRAINING_CMD="train.py -s horovod" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh \ No newline at end of file diff --git a/tutorials/distributed-ml/torch-tutorial-0-basics/slurm.sh b/tutorials/distributed-ml/torch-tutorial-0-basics/slurm.sh new file mode 100644 index 00000000..c53e3da5 --- /dev/null +++ b/tutorials/distributed-ml/torch-tutorial-0-basics/slurm.sh @@ -0,0 +1,117 @@ +#!/bin/bash + +# SLURM jobscript for JSC systems + +# Job configuration +#SBATCH --job-name=distributed_training +#SBATCH --account=intertwin +#SBATCH --mail-user= +#SBATCH --mail-type=ALL +#SBATCH --output=job.out +#SBATCH --error=job.err +#SBATCH --time=00:30:00 + +# Resources allocation +#SBATCH --partition=batch +#SBATCH --nodes=2 +#SBATCH --gpus-per-node=4 +#SBATCH --cpus-per-gpu=4 +#SBATCH --exclusive + +# gres options have to be disabled for deepv +#SBATCH --gres=gpu:4 + +# Load environment modules +ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py + +# Job info +echo "DEBUG: TIME: $(date)" +sysN="$(uname -n | cut -f2- -d.)" +sysN="${sysN%%[0-9]*}" +echo "Running on system: $sysN" +echo "DEBUG: EXECUTE: $EXEC" +echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" +echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" +echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" +echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" +echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" +echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" +echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" +echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" +echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" +if [ "$DEBUG" = true ] ; then + echo "DEBUG: NCCL_DEBUG=INFO" + export NCCL_DEBUG=INFO +fi +echo + +# Setup env for distributed ML +export CUDA_VISIBLE_DEVICES="0,1,2,3" +export OMP_NUM_THREADS=1 +if [ "$SLURM_CPUS_PER_GPU" -gt 0 ] ; then + export OMP_NUM_THREADS=$SLURM_CPUS_PER_GPU +fi + +# Env vairables check +if [ -z "$DIST_MODE" ]; then + >&2 echo "ERROR: env variable DIST_MODE is not set. Allowed values are 'horovod', 'ddp' or 'deepspeed'" + exit 1 +fi +if [ -z "$RUN_NAME" ]; then + >&2 echo "WARNING: env variable RUN_NAME is not set. It's a way to identify some specific run of an experiment." + RUN_NAME=$DIST_MODE +fi +if [ -z "$TRAINING_CMD" ]; then + >&2 echo "ERROR: env variable TRAINING_CMD is not set. It's the python command to execute." + exit 1 +fi +if [ -z "$PYTHON_VENV" ]; then + >&2 echo "WARNING: env variable PYTHON_VENV is not set. It's the path to a python virtual environment." +else + # Activate Python virtual env + source $PYTHON_VENV/bin/activate +fi + +# Get GPUs info per node +srun --cpu-bind=none --ntasks-per-node=1 bash -c 'echo -e "NODE hostname: $(hostname)\n$(nvidia-smi)\n\n"' + +# Launch training +if [ "$DIST_MODE" == "ddp" ] ; then + echo "DDP training: $TRAINING_CMD" + srun --cpu-bind=none --ntasks-per-node=1 \ + bash -c "torchrun \ + --log_dir='logs_torchrun' \ + --nnodes=$SLURM_NNODES \ + --nproc_per_node=$SLURM_GPUS_PER_NODE \ + --rdzv_id=$SLURM_JOB_ID \ + --rdzv_conf=is_host=\$(((SLURM_NODEID)) && echo 0 || echo 1) \ + --rdzv_backend=c10d \ + --rdzv_endpoint='$(scontrol show hostnames "$SLURM_JOB_NODELIST" | head -n 1)'i:29500 \ + $TRAINING_CMD" +elif [ "$DIST_MODE" == "deepspeed" ] ; then + echo "DEEPSPEED training: $TRAINING_CMD" + MASTER_ADDR=$(scontrol show hostnames "\$SLURM_JOB_NODELIST" | head -n 1)i + export MASTER_ADDR + export MASTER_PORT=29500 + + srun --cpu-bind=none --ntasks-per-node=$SLURM_GPUS_PER_NODE --cpus-per-task=$SLURM_CPUS_PER_GPU \ + python -u $TRAINING_CMD --deepspeed + + # # Run with deepspeed launcher: set --ntasks-per-node=1 + # # https://www.deepspeed.ai/getting-started/#multi-node-environment-variables + # export NCCL_IB_DISABLE=1 + # export NCCL_SOCKET_IFNAME=eth0 + # nodelist=$(scontrol show hostname $SLURM_NODELIST) + # echo "$nodelist" | sed -e 's/$/ slots=4/' > .hostfile + # # Requires passwordless SSH access among compute node + # srun --cpu-bind=none deepspeed --hostfile=.hostfile $TRAINING_CMD --deepspeed + # rm .hostfile +elif [ "$DIST_MODE" == "horovod" ] ; then + echo "HOROVOD training: $TRAINING_CMD" + srun --cpu-bind=none --ntasks-per-node=$SLURM_GPUS_PER_NODE --cpus-per-task=$SLURM_CPUS_PER_GPU \ + python -u $TRAINING_CMD +else + >&2 echo "ERROR: unrecognized \$DIST_MODE env variable" + exit 1 +fi + diff --git a/tutorials/distributed-ml/torch-tutorial-0-basics/train.py b/tutorials/distributed-ml/torch-tutorial-0-basics/train.py index 614b56e4..29c0d272 100644 --- a/tutorials/distributed-ml/torch-tutorial-0-basics/train.py +++ b/tutorials/distributed-ml/torch-tutorial-0-basics/train.py @@ -2,19 +2,23 @@ Show how to use DDP, Horovod and DeepSpeed strategies interchangeably with an extremely simple neural network. """ -from typing import Any -import os +from typing import Dict import argparse +import time import torch from torch import nn -from torch.utils.data import DataLoader, Dataset, DistributedSampler +from torch.utils.data import Dataset + +import horovod.torch as hvd from itwinai.torch.distributed import ( + distributed_resources_available, TorchDistributedStrategy, - DDPDistributedStrategy, - HVDDistributedStrategy, - DSDistributedStrategy, + TorchDDPStrategy, + HorovodStrategy, + DeepSpeedStrategy, + NonDistributedStrategy ) @@ -29,6 +33,9 @@ def parse_args() -> argparse.Namespace: "--shuffle_dataloader", action=argparse.BooleanOptionalAction ) + parser.add_argument( + '--batch-size', type=int, default=10, + help='input batch size for training (default: 10)') # DeepSpeed: needs to be removed import deepspeed @@ -55,42 +62,31 @@ def __getitem__(self, index): return torch.rand(self.x_size), torch.rand(self.y_size) -def trainer_entrypoint_fn( - foo: Any, args: argparse.Namespace, strategy: TorchDistributedStrategy +def training_fn( + args: argparse.Namespace, + strategy: TorchDistributedStrategy, + distribute_kwargs: Dict ) -> int: - """Dummy training function. This emulates custom code developed - by some use case. - """ + """Dummy training function.""" strategy.init() - print(f"{foo}: {os.environ.get('RANK')} {os.environ.get('LOCAL_RANK')} " - f"{os.environ.get('MASTER_ADDR')} {os.environ.get('MASTER_PORT')}") # Local model model = nn.Linear(3, 4) optim = torch.optim.Adam(model.parameters(), lr=1e-3) loss_fn = nn.MSELoss() # Distributed model - deepspeed_config = dict(train_batch_size=32) - # 'config_params' key is ignored if strategy != DSDistributedStrategy model, optim, lr_sched = strategy.distributed( - model, optim, lr_scheduler=None, config_params=deepspeed_config + model, optim, lr_scheduler=None, **distribute_kwargs ) # Data train_set = UniformRndDataset(x_size=3, y_size=4) # Distributed dataloader - train_loader = DataLoader( - train_set, batch_size=10, num_workers=1, - sampler=DistributedSampler( - train_set, - num_replicas=strategy.dist_gwsize(), - rank=strategy.dist_grank(), - shuffle=args.shuffle_dataloader - ) - ) + train_loader = strategy.create_dataloader( + train_set, batch_size=args.batch_size, num_workers=1) # Device allocated for this worker - device = strategy.dist_device() + device = strategy.device() for epoch in range(2): for (x, y) in train_loader: @@ -107,7 +103,7 @@ def trainer_entrypoint_fn( optim.step() - if strategy.is_main_worker(): + if strategy.is_main_worker: print(f"Loss [epoch={epoch}]: {loss.item()}") print(f"NNLoss [epoch={epoch}]: {loss.item()}") @@ -115,7 +111,8 @@ def trainer_entrypoint_fn( if lr_sched: lr_sched.step() - print(f" - TRAINING FINISHED") + time.sleep(1) + print(f" - TRAINING FINISHED") strategy.clean_up() return 123 @@ -125,19 +122,27 @@ def trainer_entrypoint_fn( args = parse_args() # Instantiate Strategy - if args.strategy == 'ddp': - if (not torch.cuda.is_available() - or not torch.cuda.device_count() > 1): - raise RuntimeError('Resources unavailable') - - strategy = DDPDistributedStrategy(backend='nccl') + if not distributed_resources_available(): + print("WARNING: falling back to non-distributed strategy.") + strategy = NonDistributedStrategy() + distribute_kwargs = {} + elif args.strategy == 'ddp': + strategy = TorchDDPStrategy(backend='nccl') + distribute_kwargs = {} elif args.strategy == 'horovod': - strategy = HVDDistributedStrategy() + strategy = HorovodStrategy() + distribute_kwargs = dict( + compression=hvd.Compression.none, + op=hvd.Average, + gradient_predivide_factor=1.0 + ) elif args.strategy == 'deepspeed': - strategy = DSDistributedStrategy(backend='nccl') + strategy = DeepSpeedStrategy(backend='nccl') + distribute_kwargs = dict( + config_params=dict(train_micro_batch_size_per_gpu=args.batch_size) + ) else: raise NotImplementedError( f"Strategy {args.strategy} is not recognized/implemented.") - # Launch distributed training - trainer_entrypoint_fn("foobar", args, strategy) + training_fn(args, strategy, distribute_kwargs) diff --git a/tutorials/distributed-ml/torch-tutorial-1-mnist/README.md b/tutorials/distributed-ml/torch-tutorial-1-mnist/README.md index 6f22d3ef..70178f0d 100644 --- a/tutorials/distributed-ml/torch-tutorial-1-mnist/README.md +++ b/tutorials/distributed-ml/torch-tutorial-1-mnist/README.md @@ -33,19 +33,43 @@ should be used to run it: If you want to distribute the code in `train.py` with **torch DDP**, run from terminal: ```bash -sbatch ddp_slurm.sh +export DIST_MODE="ddp" +export RUN_NAME="ddp-itwinai" +export TRAINING_CMD="train.py -s ddp -c config.yaml" +export PYTHON_VENV="../../../envAI_hdfml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh ``` If you want to distribute the code in `train.py` with **DeepSpeed**, run from terminal: ```bash -sbatch deepspeed_slurm.sh +export DIST_MODE="deepspeed" +export RUN_NAME="deepspeed-itwinai" +export TRAINING_CMD="train.py -s deepspeed -c config.yaml" +export PYTHON_VENV="../../../envAI_hdfml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh ``` If you want to distribute the code in `train.py` with **Horovod**, run from terminal: ```bash -sbatch hvd_slurm.sh +export DIST_MODE="horovod" +export RUN_NAME="horovod-itwinai" +export TRAINING_CMD="train.py -s horovod -c config.yaml" +export PYTHON_VENV="../../../envAI_hdfml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh ``` You can run all of them with: diff --git a/tutorials/distributed-ml/torch-tutorial-1-mnist/config.yaml b/tutorials/distributed-ml/torch-tutorial-1-mnist/config.yaml index cb221dec..331d6d04 100644 --- a/tutorials/distributed-ml/torch-tutorial-1-mnist/config.yaml +++ b/tutorials/distributed-ml/torch-tutorial-1-mnist/config.yaml @@ -1,26 +1,28 @@ -# I/O +# Data and logging data_dir: ./ +log_int: 10 +verbose: True restart_int: 10 download_only: False -verbose: True +dataset_replication: 10 +shuff: False +nworker: 4 # num workers dataloader +prefetch: 2 # Model batch_size: 64 epochs: 2 lr: 0.001 -concM: 100 momentum: 0.5 -shuff: False -# Debugging -testrun: False -nseed: 10 -log_int: 10 +# Reproducibility +rnd_seed: 10 # Distributed ML -backend: nccl -nworker: 4 # num workers dataloader -prefetch: 2 -no_cuda: False +backend: nccl # ignored when using Horovod +# Horovod: ignored when NOT using Horovod +fp16_allreduce: False +use_adasum: False +gradient_predivide_factor: 1.0 diff --git a/tutorials/distributed-ml/torch-tutorial-1-mnist/ddp_slurm.sh b/tutorials/distributed-ml/torch-tutorial-1-mnist/ddp_slurm.sh deleted file mode 100644 index 3d5d4bb3..00000000 --- a/tutorials/distributed-ml/torch-tutorial-1-mnist/ddp_slurm.sh +++ /dev/null @@ -1,66 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_DDP_tutorial-1 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-ddp.out -#SBATCH --error=job-ddp.err -#SBATCH --time=00:30:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=1 -#SBATCH --cpus-per-task=32 -#SBATCH --gpus-per-node=4 -# SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set comm -export CUDA_VISIBLE_DEVICES="0,1,2,3" -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi - -# launch training -TRAINING_CMD="train.py -s ddp -c config.yaml" - -srun --cpu-bind=none bash -c "torchrun \ - --log_dir='logs' \ - --nnodes=$SLURM_NNODES \ - --nproc_per_node=$SLURM_GPUS_PER_NODE \ - --rdzv_id=$SLURM_JOB_ID \ - --rdzv_conf=is_host=\$(((SLURM_NODEID)) && echo 0 || echo 1) \ - --rdzv_backend=c10d \ - --rdzv_endpoint='$(scontrol show hostnames "$SLURM_JOB_NODELIST" | head -n 1)'i:29500 \ - $TRAINING_CMD" - diff --git a/tutorials/distributed-ml/torch-tutorial-1-mnist/deepspeed_slurm.sh b/tutorials/distributed-ml/torch-tutorial-1-mnist/deepspeed_slurm.sh deleted file mode 100644 index 8e5f7881..00000000 --- a/tutorials/distributed-ml/torch-tutorial-1-mnist/deepspeed_slurm.sh +++ /dev/null @@ -1,74 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_DeepSpeed_tutorial-1 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-ds.out -#SBATCH --error=job-ds.err -#SBATCH --time=00:30:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=4 -#SBATCH --gpus-per-node=4 -# SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set env vars -export SRUN_CPUS_PER_TASK=${SLURM_CPUS_PER_TASK} -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi -export CUDA_VISIBLE_DEVICES="0,1,2,3" - -# launch training -MASTER_ADDR=$(scontrol show hostnames "\$SLURM_JOB_NODELIST" | head -n 1)i -export MASTER_ADDR -export MASTER_PORT=29500 - -TRAINING_CMD="train.py -s deepspeed -c config.yaml" - -# Run without launcher: set --ntasks-per-node=NUM_GPUS -srun --cpu-bind=none python -u $TRAINING_CMD --deepspeed - -# # Run with deepspeed launcher: set --ntasks-per-node=1 -# # https://www.deepspeed.ai/getting-started/#multi-node-environment-variables -# export NCCL_IB_DISABLE=1 -# export NCCL_SOCKET_IFNAME=eth0 -# nodelist=$(scontrol show hostname $SLURM_NODELIST) -# echo "$nodelist" | sed -e 's/$/ slots=4/' > .hostfile -# # Requires passwordless SSH access among compute node -# srun --cpu-bind=none deepspeed --hostfile=.hostfile $TRAINING_CMD --deepspeed -# rm .hostfile - diff --git a/tutorials/distributed-ml/torch-tutorial-1-mnist/hvd_slurm.sh b/tutorials/distributed-ml/torch-tutorial-1-mnist/hvd_slurm.sh deleted file mode 100644 index 3774b6e1..00000000 --- a/tutorials/distributed-ml/torch-tutorial-1-mnist/hvd_slurm.sh +++ /dev/null @@ -1,60 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_HVD_tutorial-1 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-hvd.out -#SBATCH --error=job-hvd.err -#SBATCH --time=00:30:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=8 -#SBATCH --gpus-per-node=4 -# SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set vars -# export NCCL_DEBUG=INFO -export SRUN_CPUS_PER_TASK=${SLURM_CPUS_PER_TASK} -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi -export CUDA_VISIBLE_DEVICES="0,1,2,3" - -# launch training -TRAINING_CMD="train.py -s horovod -c config.yaml" - -srun --cpu-bind=none python -u $TRAINING_CMD - diff --git a/tutorials/distributed-ml/torch-tutorial-1-mnist/runall.sh b/tutorials/distributed-ml/torch-tutorial-1-mnist/runall.sh index b1470d75..5a89b4fe 100644 --- a/tutorials/distributed-ml/torch-tutorial-1-mnist/runall.sh +++ b/tutorials/distributed-ml/torch-tutorial-1-mnist/runall.sh @@ -1,6 +1,39 @@ #!/bin/bash -# Run all versions of distributed ML for MNIST -rm *checkpoint.pth.tar *.out *.err -echo "Torch DDP training: $(sbatch ddp_slurm.sh)" -echo "DeepSpeed training: $(sbatch deepspeed_slurm.sh)" -echo "Horovod training: $(sbatch hvd_slurm.sh)" \ No newline at end of file + +# Python virtual environment +PYTHON_VENV="../../../envAI_hdfml" + +# Clear SLURM logs (*.out and *.err files) +rm -rf logs_slurm +mkdir logs_slurm +rm -rf logs_torchrun + +# DDP itwinai +DIST_MODE="ddp" +RUN_NAME="ddp-itwinai" +TRAINING_CMD="train.py -s ddp -c config.yaml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh + +# DeepSpeed itwinai +DIST_MODE="deepspeed" +RUN_NAME="deepspeed-itwinai" +TRAINING_CMD="train.py -s deepspeed -c config.yaml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh + +# Horovod itwinai +DIST_MODE="horovod" +RUN_NAME="horovod-itwinai" +TRAINING_CMD="train.py -s horovod -c config.yaml" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh \ No newline at end of file diff --git a/tutorials/distributed-ml/torch-tutorial-1-mnist/slurm.sh b/tutorials/distributed-ml/torch-tutorial-1-mnist/slurm.sh new file mode 100644 index 00000000..3eef38ae --- /dev/null +++ b/tutorials/distributed-ml/torch-tutorial-1-mnist/slurm.sh @@ -0,0 +1,116 @@ +#!/bin/bash + +# SLURM jobscript for JSC systems + +# Job configuration +#SBATCH --job-name=distributed_training +#SBATCH --account=intertwin +#SBATCH --mail-user= +#SBATCH --mail-type=ALL +#SBATCH --output=job.out +#SBATCH --error=job.err +#SBATCH --time=00:30:00 + +# Resources allocation +#SBATCH --partition=batch +#SBATCH --nodes=2 +#SBATCH --gpus-per-node=4 +#SBATCH --cpus-per-gpu=4 +#SBATCH --exclusive + +# gres options have to be disabled for deepv +#SBATCH --gres=gpu:4 + +# Load environment modules +ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py + +# Job info +echo "DEBUG: TIME: $(date)" +sysN="$(uname -n | cut -f2- -d.)" +sysN="${sysN%%[0-9]*}" +echo "Running on system: $sysN" +echo "DEBUG: EXECUTE: $EXEC" +echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" +echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" +echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" +echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" +echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" +echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" +echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" +echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" +echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" +if [ "$DEBUG" = true ] ; then + echo "DEBUG: NCCL_DEBUG=INFO" + export NCCL_DEBUG=INFO +fi +echo + +# Setup env for distributed ML +export CUDA_VISIBLE_DEVICES="0,1,2,3" +export OMP_NUM_THREADS=1 +if [ "$SLURM_CPUS_PER_GPU" -gt 0 ] ; then + export OMP_NUM_THREADS=$SLURM_CPUS_PER_GPU +fi + +# Env vairables check +if [ -z "$DIST_MODE" ]; then + >&2 echo "ERROR: env variable DIST_MODE is not set. Allowed values are 'horovod', 'ddp' or 'deepspeed'" + exit 1 +fi +if [ -z "$RUN_NAME" ]; then + >&2 echo "WARNING: env variable RUN_NAME is not set. It's a way to identify some specific run of an experiment." + RUN_NAME=$DIST_MODE +fi +if [ -z "$TRAINING_CMD" ]; then + >&2 echo "ERROR: env variable TRAINING_CMD is not set. It's the python command to execute." + exit 1 +fi +if [ -z "$PYTHON_VENV" ]; then + >&2 echo "WARNING: env variable PYTHON_VENV is not set. It's the path to a python virtual environment." +else + # Activate Python virtual env + source $PYTHON_VENV/bin/activate +fi + +# Get GPUs info per node +srun --cpu-bind=none --ntasks-per-node=1 bash -c 'echo -e "NODE hostname: $(hostname)\n$(nvidia-smi)\n\n"' + +# Launch training +if [ "$DIST_MODE" == "ddp" ] ; then + echo "DDP training: $TRAINING_CMD" + srun --cpu-bind=none --ntasks-per-node=1 \ + bash -c "torchrun \ + --log_dir='logs_torchrun' \ + --nnodes=$SLURM_NNODES \ + --nproc_per_node=$SLURM_GPUS_PER_NODE \ + --rdzv_id=$SLURM_JOB_ID \ + --rdzv_conf=is_host=\$(((SLURM_NODEID)) && echo 0 || echo 1) \ + --rdzv_backend=c10d \ + --rdzv_endpoint='$(scontrol show hostnames "$SLURM_JOB_NODELIST" | head -n 1)'i:29500 \ + $TRAINING_CMD" +elif [ "$DIST_MODE" == "deepspeed" ] ; then + echo "DEEPSPEED training: $TRAINING_CMD" + MASTER_ADDR=$(scontrol show hostnames "\$SLURM_JOB_NODELIST" | head -n 1)i + export MASTER_ADDR + export MASTER_PORT=29500 + + srun --cpu-bind=none --ntasks-per-node=$SLURM_GPUS_PER_NODE --cpus-per-task=$SLURM_CPUS_PER_GPU \ + python -u $TRAINING_CMD --deepspeed + + # # Run with deepspeed launcher: set --ntasks-per-node=1 + # # https://www.deepspeed.ai/getting-started/#multi-node-environment-variables + # export NCCL_IB_DISABLE=1 + # export NCCL_SOCKET_IFNAME=eth0 + # nodelist=$(scontrol show hostname $SLURM_NODELIST) + # echo "$nodelist" | sed -e 's/$/ slots=4/' > .hostfile + # # Requires passwordless SSH access among compute node + # srun --cpu-bind=none deepspeed --hostfile=.hostfile $TRAINING_CMD --deepspeed + # rm .hostfile +elif [ "$DIST_MODE" == "horovod" ] ; then + echo "HOROVOD training: $TRAINING_CMD" + srun --cpu-bind=none --ntasks-per-node=$SLURM_GPUS_PER_NODE --cpus-per-task=$SLURM_CPUS_PER_GPU \ + python -u $TRAINING_CMD +else + >&2 echo "ERROR: unrecognized \$DIST_MODE env variable" + exit 1 +fi diff --git a/tutorials/distributed-ml/torch-tutorial-1-mnist/train.py b/tutorials/distributed-ml/torch-tutorial-1-mnist/train.py index 365a9048..809480dd 100644 --- a/tutorials/distributed-ml/torch-tutorial-1-mnist/train.py +++ b/tutorials/distributed-ml/torch-tutorial-1-mnist/train.py @@ -1,34 +1,38 @@ """ Show how to use DDP, Horovod and DeepSpeed strategies interchangeably -with a simple neural network trained on MNIST dataset, showing how -to use checkpoints. +with a simple neural network trained on MNIST dataset. """ -import os +from typing import Tuple import argparse import sys import time -import numpy as np -import random +from timeit import default_timer as timer import torch -import torch.distributed as dist import torch.nn as nn import torch.nn.functional as F from torchvision import datasets, transforms -from torch.utils.data import DataLoader, DistributedSampler +from torch.utils.data import Dataset + +import horovod.torch as hvd import deepspeed from itwinai.torch.distributed import ( + distributed_resources_available, TorchDistributedStrategy, - DDPDistributedStrategy, - HVDDistributedStrategy, - DSDistributedStrategy, + TorchDDPStrategy, + HorovodStrategy, + DeepSpeedStrategy, + NonDistributedStrategy ) from itwinai.parser import ArgumentParser as ItAIArgumentParser +from itwinai.torch.reproducibility import ( + seed_worker, set_seed +) -def parse_args() -> argparse.Namespace: +def parse_params() -> argparse.Namespace: """ Parse CLI args, which can also be loaded from a configuration file using the --config flag: @@ -44,54 +48,59 @@ def parse_args() -> argparse.Namespace: default='ddp' ) - # IO parsers + # Data and logging parser.add_argument('--data-dir', default='./', help=('location of the training dataset in the local ' 'filesystem')) + parser.add_argument('--log-int', type=int, default=10, + help='log interval per training') + parser.add_argument('--verbose', + action=argparse.BooleanOptionalAction, + help='Print parsed arguments') parser.add_argument('--restart-int', type=int, default=10, help='restart interval per epoch (default: 10)') parser.add_argument('--download-only', action=argparse.BooleanOptionalAction, help='Download dataset and exit') - parser.add_argument('--verbose', - action=argparse.BooleanOptionalAction, - help='Print parsed arguments') + parser.add_argument('--dataset-replication', type=int, default=100, + help='concatenate MNIST to this factor (default: 100)') + parser.add_argument('--shuff', action='store_true', default=False, + help='shuffle dataset (default: False)') + parser.add_argument('--nworker', type=int, default=0, + help=('number of workers in DataLoader (default: 0 -' + ' only main)')) + parser.add_argument('--prefetch', type=int, default=2, + help='prefetch data in DataLoader (default: 2)') - # model parsers + # Model parser.add_argument('--batch-size', type=int, default=64, help='input batch size for training (default: 64)') parser.add_argument('--epochs', type=int, default=10, help='number of epochs to train (default: 10)') parser.add_argument('--lr', type=float, default=0.01, help='learning rate (default: 0.01)') - parser.add_argument('--concM', type=int, default=100, - help='concatenate MNIST to this factor (default: 100)') parser.add_argument('--momentum', type=float, default=0.5, help='momentum in SGD optimizer (default: 0.5)') - parser.add_argument('--shuff', action='store_true', default=False, - help='shuffle dataset (default: False)') - # debug parsers - parser.add_argument('--testrun', action='store_true', default=False, - help='do a test run with seed (default: False)') - parser.add_argument('--nseed', type=int, default=0, + # Reproducibility + parser.add_argument('--rnd-seed', type=int, default=0, help='seed integer for reproducibility (default: 0)') - parser.add_argument('--log-int', type=int, default=10, - help='log interval per training') - # parallel parsers + # Distributed ML parser.add_argument('--backend', type=str, default='nccl', help='backend for parrallelisation (default: nccl)') - parser.add_argument('--nworker', type=int, default=0, - help=('number of workers in DataLoader (default: 0 -' - ' only main)')) - parser.add_argument('--prefetch', type=int, default=2, - help='prefetch data in DataLoader (default: 2)') - parser.add_argument('--no-cuda', action='store_true', default=False, - help='disables GPGPUs') parser.add_argument('--local_rank', type=int, default=-1, help='local rank passed from distributed launcher') + # Horovod: ignored when not using Horovod + parser.add_argument('--fp16-allreduce', action='store_true', default=False, + help='use fp16 compression during allreduce') + parser.add_argument('--use-adasum', action='store_true', default=False, + help='use adasum algorithm to do reduction') + parser.add_argument('--gradient-predivide-factor', type=float, default=1.0, + help=('apply gradient pre-divide factor in optimizer ' + '(default: 1.0)')) + # DeepSpeed parser = deepspeed.add_config_arguments(parser) args = parser.parse_args() @@ -127,7 +136,7 @@ def forward(self, x): def train( - model, device, train_loader, optimizer, epoch, + model, train_loader, optimizer, epoch, strategy: TorchDistributedStrategy, args ): """ @@ -136,108 +145,62 @@ def train( model.train() t_list = [] loss_acc = 0 - gwsize = strategy.dist_gwsize() - if strategy.is_main_worker(): + if strategy.is_main_worker: print("\n") for batch_idx, (data, target) in enumerate(train_loader): - t = time.perf_counter() - data, target = data.to(device), target.to(device) + t = timer() + data = data.to(strategy.device()) + target = target.to(strategy.device()) optimizer.zero_grad() output = model(data) loss = F.nll_loss(output, target) loss.backward() optimizer.step() - if batch_idx % args.log_int == 0 and strategy.is_main_worker(): + if (strategy.is_main_worker and args.log_int > 0 + and batch_idx % args.log_int == 0): + dl_size = len(train_loader.dataset)//strategy.global_world_size() print( f'Train epoch: {epoch} ' - f'[{batch_idx * len(data)}/{len(train_loader.dataset)/gwsize} ' + f'[{batch_idx * len(data)}/{dl_size} ' f'({100.0 * batch_idx / len(train_loader):.0f}%)]\t\t' f'Loss: {loss.item():.6f}') - t_list.append(time.perf_counter() - t) + t_list.append(timer() - t) loss_acc += loss.item() - if strategy.is_main_worker(): + if strategy.is_main_worker: print('TIMER: train time', sum(t_list) / len(t_list), 's') return loss_acc -def test(model, device, test_loader, strategy: TorchDistributedStrategy): +def test(model, test_loader, strategy: TorchDistributedStrategy): """ Model validation. """ model.eval() test_loss = 0 correct = 0 - gwsize = strategy.dist_gwsize() with torch.no_grad(): for data, target in test_loader: - data, target = data.to(device), target.to(device) + data = data.to(strategy.device()) + target = target.to(strategy.device()) output = model(data) - # sum up batch loss + # Sum up batch loss test_loss += F.nll_loss(output, target, reduction="sum").item() - # get the index of the max log-probability + # Get the index of the max log-probability pred = output.argmax(dim=1, keepdim=True) correct += pred.eq(target.view_as(pred)).sum().item() test_loss /= len(test_loader.dataset) - if strategy.is_main_worker(): + if strategy.is_main_worker: + dl_size = len(test_loader.dataset)//strategy.global_world_size() print( f'Test set: average loss: {test_loss:.4f}\t' - f'accurate samples: {correct}/{len(test_loader.dataset)/gwsize}') - acc_test = 100.0 * correct * gwsize / len(test_loader.dataset) + f'accurate samples: {correct}/{dl_size}') + acc_test = ( + 100.0 * correct * strategy.global_world_size() + / len(test_loader.dataset) + ) return acc_test -def save_state( - epoch, distrib_model, loss_acc, optimizer, - res_name, is_best, strategy: TorchDistributedStrategy -): - """ - Save training state. - """ - grank = strategy.dist_grank() - rt = time.time() - # find if is_best happened in any worker - if torch.cuda.is_available(): - is_best_m = strategy.par_allgather_obj(is_best) - - if torch.cuda.is_available(): - if any(is_best_m): - # find which rank is_best happened - select first rank if multiple - is_best_rank = np.where(np.array(is_best_m))[0][0] - - # collect state - state = {'epoch': epoch + 1, - 'state_dict': distrib_model.state_dict(), - 'best_acc': loss_acc, - 'optimizer': optimizer.state_dict()} - - # write on worker with is_best - if grank == is_best_rank: - torch.save(state, './'+res_name) - print( - f'DEBUG: state in {grank} is saved on epoch:{epoch} ' - f'in {time.time()-rt} s') - else: - # collect state - state = {'epoch': epoch + 1, - 'state_dict': distrib_model.state_dict(), - 'best_acc': loss_acc, - 'optimizer': optimizer.state_dict()} - - torch.save(state, './'+res_name) - print( - f'DEBUG: state in {grank} is saved on epoch:{epoch} in ' - f'{time.time()-rt} s') - - -def seed_worker(worker_id): - """ - Seed dataloader worker. - """ - worker_seed = torch.initial_seed() % 2**32 - np.random.seed(worker_seed) - random.seed(worker_seed) - - def download_mnist(): """ Use built-in torch datasets functions to pull MNIST dataset. @@ -257,212 +220,154 @@ def download_mnist(): ])) +def mnist_dataset(dataset_replication: int = 1) -> Tuple[Dataset, Dataset]: + """Load MNIST train and test datasets, replicating them. + + Args: + dataset_replication (int): dataset replication factor. Default 1. + + Returns: + Tuple[Dataset, Dataset]: train dataset and test dataset. + """ + replicated_data = [ + datasets.MNIST(args.data_dir, train=True, download=False, + transform=transforms.Compose([ + transforms.ToTensor(), + transforms.Normalize((0.1307,), (0.3081,)) + ])) + for _ in range(dataset_replication) + ] + train_dataset = torch.utils.data.ConcatDataset(replicated_data) + + replicated_data = [ + datasets.MNIST(args.data_dir, train=False, download=False, + transform=transforms.Compose([ + transforms.ToTensor(), + transforms.Normalize((0.1307,), (0.3081,)) + ])) + for _ in range(dataset_replication) + ] + test_dataset = torch.utils.data.ConcatDataset(replicated_data) + return train_dataset, test_dataset + + if __name__ == "__main__": - args = parse_args() + args = parse_params() if args.download_only: - # Download datasets and exit + # Download datasets from a location with internet access and exit. + # This is convenient when submitting training jobs to + # a batch system where worker nodes have no internet + # access, like in some HPCs. download_mnist() sys.exit() # Instantiate Strategy - if args.strategy == 'ddp': - if (not torch.cuda.is_available() - or not torch.cuda.device_count() > 1): - raise RuntimeError('Resources unavailable') - - strategy = DDPDistributedStrategy(backend=args.backend) + if not distributed_resources_available(): + print("WARNING: falling back to non-distributed strategy.") + strategy = NonDistributedStrategy() + distribute_kwargs = {} + elif args.strategy == 'ddp': + strategy = TorchDDPStrategy(backend=args.backend) + distribute_kwargs = {} elif args.strategy == 'horovod': - strategy = HVDDistributedStrategy() + strategy = HorovodStrategy() + distribute_kwargs = dict( + compression=( + hvd.Compression.fp16 if args.fp16_allreduce + else hvd.Compression.none + ), + op=hvd.Adasum if args.use_adasum else hvd.Average, + gradient_predivide_factor=args.gradient_predivide_factor + ) elif args.strategy == 'deepspeed': - strategy = DSDistributedStrategy(backend=args.backend) + strategy = DeepSpeedStrategy(backend=args.backend) + distribute_kwargs = dict( + config_params=dict(train_micro_batch_size_per_gpu=args.batch_size) + ) else: raise NotImplementedError( f"Strategy {args.strategy} is not recognized/implemented.") - strategy.init() - - # check CUDA availability - args.cuda = not args.no_cuda and torch.cuda.is_available() - - # limit # of CPU threads to be used per worker - torch.set_num_threads(1) - - # get directory - program_dir = os.getcwd() - - # start the time.time for profiling - st = time.time() - # deterministic testrun - if args.testrun: - torch.manual_seed(args.nseed) - g = torch.Generator() - g.manual_seed(args.nseed) - - # get job rank info - rank==0 master gpu - if torch.cuda.is_available(): - # local world size - per node - lwsize = strategy.dist_lwsize() if args.cuda else 0 - gwsize = strategy.dist_gwsize() # global world size - per run - grank = strategy.dist_grank() # global rank - assign per run - lrank = strategy.dist_lrank() # local rank - assign per node - else: - gwsize = 1 - grank = 0 - - # some debug - if strategy.is_main_worker(): - print('TIMER: initialise:', time.time()-st, 's') - - # move the model on the GPU assigned to the current process - device = torch.device( - strategy.dist_device() if args.cuda and torch.cuda.is_available() - else 'cpu') - if args.cuda: - torch.cuda.set_device(lrank) - # deterministic testrun - if args.testrun: - torch.cuda.manual_seed(args.nseed) - - # read data - mnist_scale = args.concM - largeData = [] - for i in range(mnist_scale): - largeData.append( - datasets.MNIST(args.data_dir, train=True, download=False, - transform=transforms.Compose([ - transforms.ToTensor(), - transforms.Normalize((0.1307,), (0.3081,)) - ])) - ) - - # concat data - train_dataset = torch.utils.data.ConcatDataset(largeData) - - mnist_scale = args.concM - largeData = [] - for i in range(mnist_scale): - largeData.append( - datasets.MNIST(args.data_dir, train=False, download=False, - transform=transforms.Compose([ - transforms.ToTensor(), - transforms.Normalize((0.1307,), (0.3081,)) - ])) - ) + # Initialize strategy + strategy.init() - # concat data - test_dataset = torch.utils.data.ConcatDataset(largeData) - - # restricts data loading to a subset of the dataset exclusive to the - # current process - args.shuff = args.shuff and not args.testrun - if torch.cuda.is_available(): - train_sampler = DistributedSampler( - train_dataset, num_replicas=gwsize, rank=grank, shuffle=args.shuff) - test_sampler = DistributedSampler( - test_dataset, num_replicas=gwsize, rank=grank, shuffle=args.shuff) - # distribute dataset to workers - # persistent workers is not possible for nworker=0 - pers_w = True if args.nworker > 1 else False - - # deterministic testrun - the same dataset each run - kwargs = {'worker_init_fn': seed_worker, - 'generator': g} if args.testrun else {} - - if torch.cuda.is_available(): - train_loader = DataLoader( - train_dataset, batch_size=args.batch_size, - sampler=train_sampler, num_workers=args.nworker, pin_memory=True, - persistent_workers=pers_w, prefetch_factor=args.prefetch, **kwargs - ) - test_loader = DataLoader( - test_dataset, batch_size=args.batch_size, - sampler=test_sampler, num_workers=args.nworker, pin_memory=True, - persistent_workers=pers_w, prefetch_factor=args.prefetch, **kwargs - ) - else: - train_loader = DataLoader( - train_dataset, batch_size=args.batch_size) - test_loader = DataLoader( - test_dataset, batch_size=args.batch_size) + # Start the timer for profiling + st = timer() + + # Set random seed for reproducibility + torch_prng = set_seed(args.rnd_seed) + + if strategy.is_main_worker: + print('TIMER: initialise:', timer()-st, 's') + print('DEBUG: local ranks:', strategy.local_world_size(), + '/ global ranks:', strategy.global_world_size()) + print('DEBUG: sys.version:', sys.version) + print('DEBUG: args.data_dir:', args.data_dir) + print('DEBUG: args.log_int:', args.log_int) + print('DEBUG: args.nworker:', args.nworker) + print('DEBUG: args.prefetch:', args.prefetch) + print('DEBUG: args.batch_size:', args.batch_size) + print('DEBUG: args.epochs:', args.epochs) + print('DEBUG: args.lr:', args.lr) + print('DEBUG: args.momentum:', args.momentum) + print('DEBUG: args.shuff:', args.shuff) + print('DEBUG: args.rnd_seed:', args.rnd_seed) + print('DEBUG: args.backend:', args.backend) + + # Dataset + train_dataset, test_dataset = mnist_dataset(args.dataset_replication) + # Distributed dataloaders + train_loader = strategy.create_dataloader( + train_dataset, batch_size=args.batch_size, + num_workers=args.nworker, pin_memory=True, + persistent_workers=(args.nworker > 1), + prefetch_factor=args.prefetch, generator=torch_prng, + worker_init_fn=seed_worker + ) + test_loader = strategy.create_dataloader( + test_dataset, batch_size=args.batch_size, + num_workers=args.nworker, pin_memory=True, + persistent_workers=(args.nworker > 1), + prefetch_factor=args.prefetch, generator=torch_prng, + worker_init_fn=seed_worker + ) - if strategy.is_main_worker(): - print('TIMER: read and concat data:', time.time()-st, 's') + if strategy.is_main_worker: + print('TIMER: read and concat data:', timer()-st, 's') - # create CNN model - model = Net().to(device) + # Create CNN model + model = Net().to(strategy.device()) - # optimizer + # Optimizer optimizer = torch.optim.SGD( model.parameters(), lr=args.lr, momentum=args.momentum) - deepspeed_config = dict(train_batch_size=args.batch_size) - # 'config_params' key is ignored if strategy != DSDistributedStrategy - distrib_model, optimizer, _ = strategy.distributed( - model, optimizer, lr_scheduler=None, config_params=deepspeed_config + # Distributed model, optimizer, and scheduler + model, optimizer, _ = strategy.distributed( + model, optimizer, lr_scheduler=None, **distribute_kwargs ) - # resume state - start_epoch = 1 - best_acc = np.Inf - res_name = f'{args.strategy}-checkpoint.pth.tar' - if os.path.isfile(res_name): - try: - if torch.cuda.is_available(): - dist.barrier() - # Map model to be loaded to specified single gpu. - loc = {'cuda:%d' % 0: 'cuda:%d' % lrank} if args.cuda else { - 'cpu:%d' % 0: 'cpu:%d' % lrank} - checkpoint = torch.load( - program_dir+'/'+res_name, map_location=loc) - else: - checkpoint = torch.load(program_dir+'/'+res_name) - start_epoch = checkpoint['epoch'] - best_acc = checkpoint['best_acc'] - distrib_model.load_state_dict(checkpoint['state_dict']) - optimizer.load_state_dict(checkpoint['optimizer']) - if torch.cuda.is_available(): - if strategy.is_main_worker(): - print(f'WARNING: restarting from {start_epoch} epoch') - else: - print(f'WARNING: restarting from {start_epoch} epoch') - except Exception: - if torch.cuda.is_available(): - if strategy.is_main_worker(): - print('WARNING: restart file cannot be loaded, ' - 'restarting!') - else: - print('WARNING: restart file cannot be loaded, restarting!') - - if start_epoch > args.epochs: - if torch.cuda.is_available(): - if strategy.is_main_worker(): - print('WARNING: given epochs are less than the one in the ' - 'restart file!\n' - 'WARNING: SYS.EXIT is issued') - - strategy.clean_up() - sys.exit() - else: - print('WARNING: given epochs are less than the one in ' - 'the restart file!\n' - 'WARNING: SYS.EXIT is issued') - sys.exit() - - # start trainin/testing loop - if strategy.is_main_worker(): - print('TIMER: broadcast:', time.time()-st, 's') + # Start training and test loop + if strategy.is_main_worker: + print('TIMER: broadcast:', timer()-st, 's') print('\nDEBUG: start training') print('--------------------------------------------------------') - et = time.time() + et = timer() + start_epoch = 1 for epoch in range(start_epoch, args.epochs + 1): - lt = time.time() - # training + lt = timer() + if strategy.is_distributed: + # Inform the sampler that a new epoch started: shuffle + # may be needed + train_loader.sampler.set_epoch(epoch) + test_loader.sampler.set_epoch(epoch) + + # Training loss_acc = train( - model=distrib_model, - device=device, + model=model, train_loader=train_loader, optimizer=optimizer, epoch=epoch, @@ -470,77 +375,52 @@ def download_mnist(): args=args ) - # testing + # Testing acc_test = test( - model=distrib_model, - device=device, + model=model, test_loader=test_loader, strategy=strategy ) - # save first epoch timer + # Save first epoch timer if epoch == start_epoch: - first_ep_t = time.time()-lt + first_ep_t = timer()-lt - # final epoch + # Final epoch if epoch + 1 == args.epochs: train_loader.last_epoch = True test_loader.last_epoch = True - if strategy.is_main_worker(): - print('TIMER: epoch time:', time.time()-lt, 's') + if strategy.is_main_worker: + print('TIMER: epoch time:', timer()-lt, 's') print('DEBUG: accuracy:', acc_test, '%') - # save state if found a better state - is_best = loss_acc < best_acc - if epoch % args.restart_int == 0: - save_state( - epoch=epoch, - distrib_model=distrib_model, - loss_acc=loss_acc, - optimizer=optimizer, - res_name=res_name, - is_best=is_best, - strategy=strategy - ) - # reset best_acc - best_acc = min(loss_acc, best_acc) - - # finalise - # save final state - save_state( - epoch=epoch, - distrib_model=distrib_model, - loss_acc=loss_acc, - optimizer=optimizer, - res_name=res_name, - is_best=True, - strategy=strategy - ) - - # some debug - if strategy.is_main_worker(): + if strategy.is_main_worker: print('\n--------------------------------------------------------') print('DEBUG: training results:\n') print('TIMER: first epoch time:', first_ep_t, ' s') - print('TIMER: last epoch time:', time.time()-lt, ' s') - print('TIMER: average epoch time:', (time.time()-et)/args.epochs, ' s') - print('TIMER: total epoch time:', time.time()-et, ' s') + print('TIMER: last epoch time:', timer()-lt, ' s') + print('TIMER: average epoch time:', (timer()-et)/args.epochs, ' s') + print('TIMER: total epoch time:', timer()-et, ' s') if epoch > 1: print('TIMER: total epoch-1 time:', - time.time()-et-first_ep_t, ' s') + timer()-et-first_ep_t, ' s') print('TIMER: average epoch-1 time:', - (time.time()-et-first_ep_t)/(args.epochs-1), ' s') + (timer()-et-first_ep_t)/(args.epochs-1), ' s') print('DEBUG: last accuracy:', acc_test, '%') - print('DEBUG: memory req:', - int(torch.cuda.memory_reserved(lrank)/1024/1024), 'MB') \ - if args.cuda else 'DEBUG: memory req: - MB' - print('DEBUG: memory summary:\n\n', - torch.cuda.memory_summary(0)) if args.cuda else '' + if torch.cuda.is_available(): + print('DEBUG: memory req:', + int(torch.cuda.memory_reserved( + strategy.local_rank())/1024/1024), + 'MB') + print('DEBUG: memory summary:\n\n', + torch.cuda.memory_summary(0)) + + print(f'TIMER: final time: {timer()-st} s\n') - if strategy.is_main_worker(): - print(f'TIMER: final time: {time.time()-st} s\n') + time.sleep(1) + print(f" - TRAINING FINISHED") - print(f" - TRAINING FINISHED") + # Clean-up strategy.clean_up() sys.exit() diff --git a/tutorials/distributed-ml/torch-tutorial-2-imagenet/README.md b/tutorials/distributed-ml/torch-tutorial-2-imagenet/README.md deleted file mode 100644 index 780eb278..00000000 --- a/tutorials/distributed-ml/torch-tutorial-2-imagenet/README.md +++ /dev/null @@ -1,47 +0,0 @@ -# Tutorial: distributed strategies for PyTorch model trained on MNIST dataset - -In this tutorial we show how to use torch `DistributedDataParallel` (DDP), Horovod and -DeepSpeed from the same client code. -Note that the environment is tested on the HDFML system at JSC. For other systems, -the module versions might need change accordingly. - -## Setup - -First, from the root of this repository, build the environment containing -pytorch, horovod and deepspeed. You can *try* with: - -```bash -# Creates a Python venv called envAI_hdfml -make torch-gpu-jsc -``` - -The Imagenet dataset is assumed to be already downloaded to some location. - -## Distributed training - -Each distributed strategy has its own SLURM job script, which -should be used to run it: - -If you want to distribute the code in `train.py` with **torch DDP**, run from terminal: - -```bash -sbatch ddp_slurm.sh -``` - -If you want to distribute the code in `train.py` with **DeepSpeed**, run from terminal: - -```bash -sbatch deepspeed_slurm.sh -``` - -If you want to distribute the code in `train.py` with **Horovod**, run from terminal: - -```bash -sbatch hvd_slurm.sh -``` - -You can run all of them with: - -```bash -bash runall.sh -``` diff --git a/tutorials/distributed-ml/torch-tutorial-2-imagenet/config.yaml b/tutorials/distributed-ml/torch-tutorial-2-imagenet/config.yaml deleted file mode 100644 index 2473d346..00000000 --- a/tutorials/distributed-ml/torch-tutorial-2-imagenet/config.yaml +++ /dev/null @@ -1,25 +0,0 @@ -# I/O -data_dir: /p/project/intertwin/datasets/Imagenet_sub/ImageNet_uncompressed/train/ #/p/project/intertwin/datasets/ImageNet_uncompressed/train -restart_int: 10 -verbose: True - -# Model -batch_size: 64 -epochs: 3 -lr: 0.001 -momentum: 0.5 -shuff: False -num_classes: 1000 - -# Debugging -testrun: False -nseed: 10 -log_int: 10 - -# Distributed ML -backend: nccl -nworker: 4 # num workers dataloader -prefetch: 2 -no_cuda: False - - diff --git a/tutorials/distributed-ml/torch-tutorial-2-imagenet/ddp_slurm.sh b/tutorials/distributed-ml/torch-tutorial-2-imagenet/ddp_slurm.sh deleted file mode 100644 index 4e9749c2..00000000 --- a/tutorials/distributed-ml/torch-tutorial-2-imagenet/ddp_slurm.sh +++ /dev/null @@ -1,66 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_DDP_tutorial-1 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-ddp.out -#SBATCH --error=job-ddp.err -#SBATCH --time=00:30:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=1 -#SBATCH --cpus-per-task=32 -#SBATCH --gpus-per-node=4 -#SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set comm -export CUDA_VISIBLE_DEVICES="0,1,2,3" -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi - -# launch training -TRAINING_CMD="train.py -s ddp -c config.yaml" - -srun --cpu-bind=none bash -c "torchrun \ - --log_dir='logs' \ - --nnodes=$SLURM_NNODES \ - --nproc_per_node=$SLURM_GPUS_PER_NODE \ - --rdzv_id=$SLURM_JOB_ID \ - --rdzv_conf=is_host=\$(((SLURM_NODEID)) && echo 0 || echo 1) \ - --rdzv_backend=c10d \ - --rdzv_endpoint='$(scontrol show hostnames "$SLURM_JOB_NODELIST" | head -n 1)'i:29500 \ - $TRAINING_CMD" - diff --git a/tutorials/distributed-ml/torch-tutorial-2-imagenet/deepspeed_slurm.sh b/tutorials/distributed-ml/torch-tutorial-2-imagenet/deepspeed_slurm.sh deleted file mode 100644 index 8f1c2d2d..00000000 --- a/tutorials/distributed-ml/torch-tutorial-2-imagenet/deepspeed_slurm.sh +++ /dev/null @@ -1,74 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_DeepSpeed_tutorial-1 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-ds.out -#SBATCH --error=job-ds.err -#SBATCH --time=00:30:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=4 -#SBATCH --gpus-per-node=4 -#SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set env vars -export SRUN_CPUS_PER_TASK=${SLURM_CPUS_PER_TASK} -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi -export CUDA_VISIBLE_DEVICES="0,1,2,3" - -# launch training -MASTER_ADDR=$(scontrol show hostnames "\$SLURM_JOB_NODELIST" | head -n 1)i -export MASTER_ADDR -export MASTER_PORT=29500 - -TRAINING_CMD="train.py -s deepspeed -c config.yaml" - -# Run without launcher: set --ntasks-per-node=NUM_GPUS -srun --cpu-bind=none python -u $TRAINING_CMD --deepspeed - -# # Run with deepspeed launcher: set --ntasks-per-node=1 -# # https://www.deepspeed.ai/getting-started/#multi-node-environment-variables -# export NCCL_IB_DISABLE=1 -# export NCCL_SOCKET_IFNAME=eth0 -# nodelist=$(scontrol show hostname $SLURM_NODELIST) -# echo "$nodelist" | sed -e 's/$/ slots=4/' > .hostfile -# # Requires passwordless SSH access among compute node -# srun --cpu-bind=none deepspeed --hostfile=.hostfile $TRAINING_CMD --deepspeed -# rm .hostfile - diff --git a/tutorials/distributed-ml/torch-tutorial-2-imagenet/hvd_slurm.sh b/tutorials/distributed-ml/torch-tutorial-2-imagenet/hvd_slurm.sh deleted file mode 100644 index 69b9d51e..00000000 --- a/tutorials/distributed-ml/torch-tutorial-2-imagenet/hvd_slurm.sh +++ /dev/null @@ -1,60 +0,0 @@ -#!/bin/bash - -# general configuration of the job -#SBATCH --job-name=Torch_HVD_tutorial-1 -#SBATCH --account=intertwin -#SBATCH --mail-user= -#SBATCH --mail-type=ALL -#SBATCH --output=job-hvd.out -#SBATCH --error=job-hvd.err -#SBATCH --time=00:30:00 - -# configure node and process count on the CM -#SBATCH --partition=batch -#SBATCH --nodes=2 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=8 -#SBATCH --gpus-per-node=4 -#SBATCH --exclusive - -# gres options have to be disabled for deepv -#SBATCH --gres=gpu:4 - -# set modules -ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py - -# set env -source ../../../envAI_hdfml/bin/activate - -# job info -debug=false -echo "DEBUG: TIME: $(date)" -echo "DEBUG: EXECUTE: $EXEC" -echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" -echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" -echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" -echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" -echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" -echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" -echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" -echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" -echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" -if [ "$debug" = true ] ; then - export NCCL_DEBUG=INFO -fi -echo - -# set vars -# export NCCL_DEBUG=INFO -export SRUN_CPUS_PER_TASK=${SLURM_CPUS_PER_TASK} -export OMP_NUM_THREADS=1 -if [ "$SLURM_CPUS_PER_TASK" -gt 0 ] ; then - export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK -fi -export CUDA_VISIBLE_DEVICES="0,1,2,3" - -# launch training -TRAINING_CMD="train.py -s horovod -c config.yaml" - -srun --cpu-bind=none python -u $TRAINING_CMD - diff --git a/tutorials/distributed-ml/torch-tutorial-2-imagenet/runall.sh b/tutorials/distributed-ml/torch-tutorial-2-imagenet/runall.sh deleted file mode 100644 index 21c02a22..00000000 --- a/tutorials/distributed-ml/torch-tutorial-2-imagenet/runall.sh +++ /dev/null @@ -1,6 +0,0 @@ -#!/bin/bash -# Run all versions of distributed ML version -rm *checkpoint.pth.tar *.out *.err *.csv -echo "Torch DDP training: $(sbatch ddp_slurm.sh)" -echo "DeepSpeed training: $(sbatch deepspeed_slurm.sh)" -echo "Horovod training: $(sbatch hvd_slurm.sh)" \ No newline at end of file diff --git a/tutorials/distributed-ml/torch-tutorial-2-imagenet/scaling-test.sh b/tutorials/distributed-ml/torch-tutorial-2-imagenet/scaling-test.sh deleted file mode 100644 index 275f7fb7..00000000 --- a/tutorials/distributed-ml/torch-tutorial-2-imagenet/scaling-test.sh +++ /dev/null @@ -1,11 +0,0 @@ -#!/bin/bash - -rm *checkpoint.pth.tar *.out *.err *.csv - -timeout="01:01:00" -for N in 1 2 4 8 -do - sbatch --job-name="DDP-imagenet-n$N" --nodes=$N --output="job-ddp-n$N.out" --error="job-ddp-n$N.err" --time=$timeout ddp_slurm.sh - sbatch --job-name="DS-imagenet-n$N" --nodes=$N --output="job-ds-n$N.out" --error="job-ds-n$N.err" --time=$timeout deepspeed_slurm.sh - sbatch --job-name="HVD-imagenet-n$N" --nodes=$N --output="job-hvd-n$N.out" --error="job-hvd-n$N.err" --time=$timeout hvd_slurm.sh -done \ No newline at end of file diff --git a/tutorials/distributed-ml/torch-tutorial-2-imagenet/train.py b/tutorials/distributed-ml/torch-tutorial-2-imagenet/train.py deleted file mode 100644 index 6bd71214..00000000 --- a/tutorials/distributed-ml/torch-tutorial-2-imagenet/train.py +++ /dev/null @@ -1,499 +0,0 @@ -""" -Show how to use DDP, Horovod and DeepSpeed strategies interchangeably -with a large neural network trained on Imagenet dataset, showing how -to use checkpoints. -""" -import os -import argparse -import sys -import time -import numpy as np -import random - -import torch -from torch import nn -import torch.distributed as dist -import torch.nn.functional as F -import torchvision -from torchvision import transforms -from torch.utils.data import DataLoader, DistributedSampler - -import deepspeed - -from itwinai.torch.distributed import ( - TorchDistributedStrategy, - DDPDistributedStrategy, - HVDDistributedStrategy, - DSDistributedStrategy, -) -from itwinai.parser import ArgumentParser as ItAIArgumentParser -from itwinai.loggers import EpochTimeTracker - - -def parse_args() -> argparse.Namespace: - """ - Parse CLI args, which can also be loaded from a configuration file - using the --config flag: - - >>> train.py --strategy ddp --config config.yaml - """ - parser = ItAIArgumentParser(description='PyTorch MNIST Example') - - # Distributed ML strategy - parser.add_argument( - "--strategy", "-s", type=str, - choices=['ddp', 'horovod', 'deepspeed'], - default='ddp' - ) - - # IO parsers - parser.add_argument('--data-dir', default='./', - help=('location of the training dataset in the local ' - 'filesystem')) - parser.add_argument('--restart-int', type=int, default=10, - help='restart interval per epoch (default: 10)') - parser.add_argument('--verbose', - action=argparse.BooleanOptionalAction, - help='Print parsed arguments') - - # model parsers - parser.add_argument('--batch-size', type=int, default=64, - help='input batch size for training (default: 64)') - parser.add_argument('--epochs', type=int, default=10, - help='number of epochs to train (default: 10)') - parser.add_argument('--lr', type=float, default=0.01, - help='learning rate (default: 0.01)') - parser.add_argument('--momentum', type=float, default=0.5, - help='momentum in SGD optimizer (default: 0.5)') - parser.add_argument('--shuff', action='store_true', default=False, - help='shuffle dataset (default: False)') - parser.add_argument('--num-classes', type=int, default=1000, - help='number of classes in dataset') - - # debug parsers - parser.add_argument('--testrun', action='store_true', default=False, - help='do a test run with seed (default: False)') - parser.add_argument('--nseed', type=int, default=0, - help='seed integer for reproducibility (default: 0)') - parser.add_argument('--log-int', type=int, default=10, - help='log interval per training') - - # parallel parsers - parser.add_argument('--backend', type=str, default='nccl', - help='backend for parrallelisation (default: nccl)') - parser.add_argument('--nworker', type=int, default=0, - help=('number of workers in DataLoader (default: 0 -' - ' only main)')) - parser.add_argument('--prefetch', type=int, default=2, - help='prefetch data in DataLoader (default: 2)') - parser.add_argument('--no-cuda', action='store_true', default=False, - help='disables GPGPUs') - parser.add_argument('--local_rank', type=int, default=-1, - help='local rank passed from distributed launcher') - - # DeepSpeed - parser = deepspeed.add_config_arguments(parser) - args = parser.parse_args() - - if args.verbose: - args_list = [f"{key}: {val}" for key, val in args.items()] - print("PARSED ARGS:\n", '\n'.join(args_list)) - - return args - - -def train( - model, device, train_loader, optimizer, epoch, - strategy: TorchDistributedStrategy, args -): - """ - Training function, representing an epoch. - """ - model.train() - t_list = [] - loss_acc = 0 - gwsize = strategy.dist_gwsize() - if strategy.is_main_worker(): - print("\n") - for batch_idx, (data, target) in enumerate(train_loader): - t = time.perf_counter() - data, target = data.to(device), target.to(device) - optimizer.zero_grad() - output = model(data) - loss = F.nll_loss(output, target) - loss.backward() - optimizer.step() - if batch_idx % args.log_int == 0 and strategy.is_main_worker(): - print( - f'Train epoch: {epoch} ' - f'[{batch_idx * len(data)}/{len(train_loader.dataset)/gwsize} ' - f'({100.0 * batch_idx / len(train_loader):.0f}%)]\t\t' - f'Loss: {loss.item():.6f}') - t_list.append(time.perf_counter() - t) - loss_acc += loss.item() - if strategy.is_main_worker(): - print('TIMER: train time', sum(t_list) / len(t_list), 's') - return loss_acc - - -def test(model, device, test_loader, strategy: TorchDistributedStrategy): - """ - Model validation. - """ - model.eval() - test_loss = 0 - correct = 0 - gwsize = strategy.dist_gwsize() - with torch.no_grad(): - for data, target in test_loader: - data, target = data.to(device), target.to(device) - output = model(data) - # sum up batch loss - test_loss += F.nll_loss(output, target, reduction="sum").item() - # get the index of the max log-probability - pred = output.argmax(dim=1, keepdim=True) - correct += pred.eq(target.view_as(pred)).sum().item() - test_loss /= len(test_loader.dataset) - if strategy.is_main_worker(): - print( - f'Test set: average loss: {test_loss:.4f}\t' - f'accurate samples: {correct}/{len(test_loader.dataset)/gwsize}') - acc_test = 100.0 * correct * gwsize / len(test_loader.dataset) - return acc_test - - -def save_state( - epoch, distrib_model, loss_acc, optimizer, - res_name, is_best, strategy: TorchDistributedStrategy -): - """ - Save training state. - """ - grank = strategy.dist_grank() - rt = time.time() - # find if is_best happened in any worker - if torch.cuda.is_available(): - is_best_m = strategy.par_allgather_obj(is_best) - - if torch.cuda.is_available(): - if any(is_best_m): - # find which rank is_best happened - select first rank if multiple - is_best_rank = np.where(np.array(is_best_m))[0][0] - - # collect state - state = {'epoch': epoch + 1, - 'state_dict': distrib_model.state_dict(), - 'best_acc': loss_acc, - 'optimizer': optimizer.state_dict()} - - # write on worker with is_best - if grank == is_best_rank: - torch.save(state, './'+res_name) - print( - f'DEBUG: state in {grank} is saved on epoch:{epoch} ' - f'in {time.time()-rt} s') - else: - # collect state - state = {'epoch': epoch + 1, - 'state_dict': distrib_model.state_dict(), - 'best_acc': loss_acc, - 'optimizer': optimizer.state_dict()} - - torch.save(state, './'+res_name) - print( - f'DEBUG: state in {grank} is saved on epoch:{epoch} in ' - f'{time.time()-rt} s') - - -def seed_worker(worker_id): - """ - Seed dataloader worker. - """ - worker_seed = torch.initial_seed() % 2**32 - np.random.seed(worker_seed) - random.seed(worker_seed) - - -if __name__ == "__main__": - - args = parse_args() - - # Instantiate Strategy - if args.strategy == 'ddp': - if (not torch.cuda.is_available() - or not torch.cuda.device_count() > 1): - raise RuntimeError('Resources unavailable') - - strategy = DDPDistributedStrategy(backend=args.backend) - elif args.strategy == 'horovod': - strategy = HVDDistributedStrategy() - elif args.strategy == 'deepspeed': - strategy = DSDistributedStrategy(backend=args.backend) - else: - raise NotImplementedError( - f"Strategy {args.strategy} is not recognized/implemented.") - strategy.init() - - # check CUDA availability - args.cuda = not args.no_cuda and torch.cuda.is_available() - - # limit # of CPU threads to be used per worker - torch.set_num_threads(1) - - # get directory - program_dir = os.getcwd() - - # start the time.time for profiling - st = time.time() - - # deterministic testrun - if args.testrun: - torch.manual_seed(args.nseed) - g = torch.Generator() - g.manual_seed(args.nseed) - - # get job rank info - rank==0 master gpu - if torch.cuda.is_available(): - # local world size - per node - lwsize = strategy.dist_lwsize() if args.cuda else 0 - gwsize = strategy.dist_gwsize() # global world size - per run - grank = strategy.dist_grank() # global rank - assign per run - lrank = strategy.dist_lrank() # local rank - assign per node - else: - gwsize = 1 - grank = 0 - - # some debug - if strategy.is_main_worker(): - print('TIMER: initialise:', time.time()-st, 's') - - # move the model on the GPU assigned to the current process - device = torch.device( - strategy.dist_device() if args.cuda and torch.cuda.is_available() - else 'cpu') - if args.cuda: - torch.cuda.set_device(lrank) - # deterministic testrun - if args.testrun: - torch.cuda.manual_seed(args.nseed) - - # dataset - # Initialize transformations for data augmentation - transform = transforms.Compose([ - transforms.Resize(256), - transforms.RandomHorizontalFlip(), - transforms.RandomVerticalFlip(), - transforms.RandomRotation(degrees=45), - transforms.ColorJitter( - brightness=0.5, contrast=0.5, saturation=0.5, hue=0.5), - transforms.CenterCrop(224), - transforms.ToTensor(), - transforms.Normalize([0.485, 0.456, 0.406], [0.229, 0.224, 0.225]) - ]) - - # Load the ImageNet Object Localization Challenge dataset - train_dataset = torchvision.datasets.ImageFolder( - root=args.data_dir, - transform=transform - ) - # test_dataset = ... - - # restricts data loading to a subset of the dataset exclusive to the - # current process - args.shuff = args.shuff and not args.testrun - if torch.cuda.is_available(): - train_sampler = DistributedSampler( - train_dataset, num_replicas=gwsize, rank=grank, shuffle=args.shuff) - # test_sampler = DistributedSampler( - # test_dataset, num_replicas=gwsize, rank=grank, - # shuffle=args.shuff) - # distribute dataset to workers - # persistent workers is not possible for nworker=0 - pers_w = True if args.nworker > 1 else False - - # deterministic testrun - the same dataset each run - kwargs = {'worker_init_fn': seed_worker, - 'generator': g} if args.testrun else {} - - if torch.cuda.is_available(): - train_loader = DataLoader( - train_dataset, batch_size=args.batch_size, - sampler=train_sampler, num_workers=args.nworker, pin_memory=True, - persistent_workers=pers_w, prefetch_factor=args.prefetch, **kwargs - ) - # test_loader = DataLoader( - # test_dataset, batch_size=args.batch_size, - # sampler=test_sampler, num_workers=args.nworker, pin_memory=True, - # persistent_workers=pers_w, prefetch_factor=args.prefetch, - # **kwargs - # ) - else: - train_loader = DataLoader( - train_dataset, batch_size=args.batch_size) - # test_loader = DataLoader( - # test_dataset, batch_size=args.batch_size) - - if strategy.is_main_worker(): - print('TIMER: read and concat data:', time.time()-st, 's') - - # create CNN model: resnet 50, resnet101, resnet152 - model = torchvision.models.resnet152() - model.fc = nn.Linear(2048, args.num_classes) - - # optimizer - optimizer = torch.optim.SGD( - model.parameters(), lr=args.lr, momentum=args.momentum) - - deepspeed_config = dict(train_micro_batch_size_per_gpu=args.batch_size) - # 'config_params' key is ignored if strategy != DSDistributedStrategy - distrib_model, optimizer, _ = strategy.distributed( - model, optimizer, lr_scheduler=None, config_params=deepspeed_config - ) - - # resume state - start_epoch = 1 - best_acc = np.Inf - nnod = os.environ.get('SLURM_NNODES', 'unk') - res_name = f'{args.strategy}-{nnod}N-checkpoint.pth.tar' - if os.path.isfile(res_name): - try: - if torch.cuda.is_available(): - dist.barrier() - # Map model to be loaded to specified single gpu. - loc = {'cuda:%d' % 0: 'cuda:%d' % lrank} if args.cuda else { - 'cpu:%d' % 0: 'cpu:%d' % lrank} - checkpoint = torch.load( - program_dir+'/'+res_name, map_location=loc) - else: - checkpoint = torch.load(program_dir+'/'+res_name) - start_epoch = checkpoint['epoch'] - best_acc = checkpoint['best_acc'] - distrib_model.load_state_dict(checkpoint['state_dict']) - optimizer.load_state_dict(checkpoint['optimizer']) - if torch.cuda.is_available(): - if strategy.is_main_worker(): - print(f'WARNING: restarting from {start_epoch} epoch') - else: - print(f'WARNING: restarting from {start_epoch} epoch') - except Exception: - if torch.cuda.is_available(): - if strategy.is_main_worker(): - print('WARNING: restart file cannot be loaded, ' - 'restarting!') - else: - print('WARNING: restart file cannot be loaded, restarting!') - - if start_epoch > args.epochs: - if torch.cuda.is_available(): - if strategy.is_main_worker(): - print('WARNING: given epochs are less than the one in the ' - 'restart file!\n' - 'WARNING: SYS.EXIT is issued') - - strategy.clean_up() - sys.exit() - else: - print('WARNING: given epochs are less than the one in ' - 'the restart file!\n' - 'WARNING: SYS.EXIT is issued') - sys.exit() - - # start trainin/testing loop - if strategy.is_main_worker(): - print('TIMER: broadcast:', time.time()-st, 's') - print('\nDEBUG: start training') - print('--------------------------------------------------------') - epoch_time_tracker = EpochTimeTracker(series_name=args.strategy) - - et = time.time() - for epoch in range(start_epoch, args.epochs + 1): - lt = time.time() - # training - loss_acc = train( - model=distrib_model, - device=device, - train_loader=train_loader, - optimizer=optimizer, - epoch=epoch, - strategy=strategy, - args=args - ) - - # # testing - # acc_test = test( - # model=distrib_model, - # device=device, - # test_loader=test_loader, - # strategy=strategy - # ) - - # save first epoch timer - if epoch == start_epoch: - first_ep_t = time.time()-lt - - # final epoch - if epoch + 1 == args.epochs: - train_loader.last_epoch = True - # test_loader.last_epoch = True - - if strategy.is_main_worker(): - print('TIMER: epoch time:', time.time()-lt, 's') - epoch_time_tracker.add_epoch_time(epoch-1, time.time()-lt) - # print('DEBUG: accuracy:', acc_test, '%') - - # save state if found a better state - is_best = loss_acc < best_acc - if epoch % args.restart_int == 0: - save_state( - epoch=epoch, - distrib_model=distrib_model, - loss_acc=loss_acc, - optimizer=optimizer, - res_name=res_name, - is_best=is_best, - strategy=strategy - ) - # reset best_acc - best_acc = min(loss_acc, best_acc) - - # finalise - # save final state - save_state( - epoch=epoch, - distrib_model=distrib_model, - loss_acc=loss_acc, - optimizer=optimizer, - res_name=res_name, - is_best=True, - strategy=strategy - ) - - # some debug - if strategy.is_main_worker(): - print('\n--------------------------------------------------------') - print('DEBUG: training results:\n') - print('TIMER: first epoch time:', first_ep_t, ' s') - print('TIMER: last epoch time:', time.time()-lt, ' s') - print('TIMER: average epoch time:', (time.time()-et)/args.epochs, ' s') - print('TIMER: total epoch time:', time.time()-et, ' s') - if epoch > 1: - print('TIMER: total epoch-1 time:', - time.time()-et-first_ep_t, ' s') - print('TIMER: average epoch-1 time:', - (time.time()-et-first_ep_t)/(args.epochs-1), ' s') - # print('DEBUG: last accuracy:', acc_test, '%') - print('DEBUG: memory req:', - int(torch.cuda.memory_reserved(lrank)/1024/1024), 'MB') \ - if args.cuda else 'DEBUG: memory req: - MB' - print('DEBUG: memory summary:\n\n', - torch.cuda.memory_summary(0)) if args.cuda else '' - - if strategy.is_main_worker(): - print(f'TIMER: final time: {time.time()-st} s\n') - nnod = os.environ.get('SLURM_NNODES', 'unk') - epoch_time_tracker.save( - csv_file=f"epochtime_{args.strategy}_{nnod}N.csv") - - print(f" - TRAINING FINISHED") - strategy.clean_up() - sys.exit() diff --git a/tutorials/ml-workflows/basic_components.py b/tutorials/ml-workflows/basic_components.py index 49e74180..1fca03d8 100644 --- a/tutorials/ml-workflows/basic_components.py +++ b/tutorials/ml-workflows/basic_components.py @@ -70,12 +70,6 @@ def execute( """ return train_set, vaild_set, test_set, "my_trained_model" - def save_state(self): - return super().save_state() - - def load_state(self): - return super().load_state() - class MySaver(Saver): @monitor_exec diff --git a/use-cases/3dgan/create_inference_sample.py b/use-cases/3dgan/create_inference_sample.py new file mode 100644 index 00000000..14b88870 --- /dev/null +++ b/use-cases/3dgan/create_inference_sample.py @@ -0,0 +1,23 @@ +"""Create a simple inference dataset sample and a checkpoint.""" + +import argparse +import os +import torch +from model import ThreeDGAN + + +def create_checkpoint( + root: str = '.', + ckpt_name: str = "3dgan-inference.pth" +): + ckpt_path = os.path.join(root, ckpt_name) + net = ThreeDGAN() + torch.save(net, ckpt_path) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser() + parser.add_argument("--root", type=str, default='.') + parser.add_argument("--ckpt-name", type=str, default="3dgan-inference.pth") + args = parser.parse_args() + create_checkpoint(**vars(args)) diff --git a/use-cases/3dgan/dataloader.py b/use-cases/3dgan/dataloader.py index 89234895..b4dcc096 100644 --- a/use-cases/3dgan/dataloader.py +++ b/use-cases/3dgan/dataloader.py @@ -35,7 +35,8 @@ def execute(self): gdown.download_folder( url=self.data_url, quiet=False, - output=self.data_path + output=self.data_path, + verify=False ) diff --git a/use-cases/3dgan/trainer.py b/use-cases/3dgan/trainer.py index 3bb5a1fd..8e022bc9 100644 --- a/use-cases/3dgan/trainer.py +++ b/use-cases/3dgan/trainer.py @@ -52,12 +52,6 @@ def execute(self) -> Any: cli.trainer.fit(cli.model, datamodule=cli.datamodule) teardown_lightning_mlflow() - def save_state(self): - return super().save_state() - - def load_state(self): - return super().load_state() - class LightningModelLoader(TorchModelLoader): """Loads a torch lightning model from somewhere. diff --git a/use-cases/cyclones/README.md b/use-cases/cyclones/README.md new file mode 100644 index 00000000..6b504fb0 --- /dev/null +++ b/use-cases/cyclones/README.md @@ -0,0 +1,12 @@ +# Tropical cyclone detection + +## Dataset + +If the automatic download from python does not work, try from the command line from +within the virtual environment: + +```bash +gdown https://drive.google.com/drive/folders/1TnmujO4T-8_j4bCxqNe5HEw9njJIIBQD -O data/tmp_data/trainval --folder +``` + +For more info visit the [gdown](https://github.com/wkentaro/gdown) repository. diff --git a/use-cases/cyclones/dataloader.py b/use-cases/cyclones/dataloader.py index 7f224157..3cf1d97b 100644 --- a/use-cases/cyclones/dataloader.py +++ b/use-cases/cyclones/dataloader.py @@ -180,6 +180,7 @@ def setup_config(self, config: Dict) -> None: if not exists(join(root_dir, self.data_path)): gdown.download_folder( url=self.data_url, quiet=False, + verify=False, output=join(root_dir, self.data_path) ) diff --git a/use-cases/cyclones/trainer.py b/use-cases/cyclones/trainer.py index 1c47819b..054f772b 100644 --- a/use-cases/cyclones/trainer.py +++ b/use-cases/cyclones/trainer.py @@ -155,9 +155,3 @@ def setup_config(self, config: Dict) -> None: if self.model_backup: self.best_model_name = join(self.model_backup, "best_model.h5") self.last_model_name = join(self.run_dir, "last_model.h5") - - def load_state(self): - return super().load_state() - - def save_state(self): - return super().save_state() diff --git a/use-cases/mnist/tensorflow/pipeline.yaml b/use-cases/mnist/tensorflow/pipeline.yaml index 9fced327..314f78b1 100644 --- a/use-cases/mnist/tensorflow/pipeline.yaml +++ b/use-cases/mnist/tensorflow/pipeline.yaml @@ -32,9 +32,9 @@ pipeline: strategy: class_path: tensorflow.python.distribute.mirrored_strategy.MirroredStrategy - logger: - - class_path: itwinai.loggers.ConsoleLogger - - class_path: itwinai.loggers.MLFlowLogger - init_args: - experiment_name: MNIST classifier - log_freq: batch + # logger: + # - class_path: itwinai.loggers.ConsoleLogger + # - class_path: itwinai.loggers.MLFlowLogger + # init_args: + # experiment_name: MNIST classifier + # log_freq: batch diff --git a/use-cases/mnist/tensorflow/trainer.py b/use-cases/mnist/tensorflow/trainer.py index 17ef19a5..435f79f4 100644 --- a/use-cases/mnist/tensorflow/trainer.py +++ b/use-cases/mnist/tensorflow/trainer.py @@ -35,9 +35,3 @@ def __init__( @monitor_exec def execute(self, train_dataset, validation_dataset) -> Any: return super().execute(train_dataset, validation_dataset) - - def load_state(self): - return super().load_state() - - def save_state(self): - return super().save_state() diff --git a/use-cases/mnist/torch-lightning/README.md b/use-cases/mnist/torch-lightning/README.md new file mode 100644 index 00000000..bd769c70 --- /dev/null +++ b/use-cases/mnist/torch-lightning/README.md @@ -0,0 +1,17 @@ +# Torch Lightning example on MNIST dataset + +## Training + +```bash +# Download dataset and exit: only run first step in the pipeline (index=0) +itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline --steps 0 + +# Run the whole training pipeline +itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline +``` + +View training logs on MLFLow server (if activated from the configuration): + +```bash +mlflow ui --backend-store-uri mllogs/mlflow/ +``` diff --git a/use-cases/mnist/torch-lightning/pipeline.yaml b/use-cases/mnist/torch-lightning/config.yaml similarity index 96% rename from use-cases/mnist/torch-lightning/pipeline.yaml rename to use-cases/mnist/torch-lightning/config.yaml index cf754b2f..23fde03d 100644 --- a/use-cases/mnist/torch-lightning/pipeline.yaml +++ b/use-cases/mnist/torch-lightning/config.yaml @@ -1,4 +1,4 @@ -pipeline: +training_pipeline: class_path: itwinai.pipeline.Pipeline init_args: steps: @@ -6,7 +6,7 @@ pipeline: init_args: data_path: data/ - - class_path: trainer.LightningMNISTTrainer + - class_path: itwinai.torch.trainer.TorchLightningTrainer #trainer.LightningMNISTTrainer init_args: # Pytorch lightning config for training config: diff --git a/use-cases/mnist/torch-lightning/dataloader.py b/use-cases/mnist/torch-lightning/dataloader.py index 1f062fe5..b7e8d46e 100644 --- a/use-cases/mnist/torch-lightning/dataloader.py +++ b/use-cases/mnist/torch-lightning/dataloader.py @@ -31,7 +31,7 @@ def execute(self) -> None: self._downloader.setup(stage='predict') -class MNISTDataModule(L.LightningModule): +class MNISTDataModule(L.LightningDataModule): def __init__( self, data_path: str, diff --git a/use-cases/mnist/torch-lightning/train.py b/use-cases/mnist/torch-lightning/train.py deleted file mode 100644 index 97f53093..00000000 --- a/use-cases/mnist/torch-lightning/train.py +++ /dev/null @@ -1,44 +0,0 @@ -""" -Training pipeline. To run this script, use the following commands. - -On login node: - ->>> micromamba run -p ../../../.venv-pytorch/ \ - python train.py -p pipeline.yaml -d - -On compute nodes: - ->>> micromamba run -p ../../../.venv-pytorch/ \ - python train.py -p pipeline.yaml - -""" - -import argparse - -from itwinai.parser import ConfigParser - - -if __name__ == "__main__": - parser = argparse.ArgumentParser() - parser.add_argument( - "-p", "--pipeline", type=str, required=True, - help='Configuration file to the pipeline to execute.' - ) - parser.add_argument( - '-d', '--download-only', - action=argparse.BooleanOptionalAction, - default=False, - help=('Whether to download only the dataset and exit execution ' - '(suggested on login nodes of HPC systems)') - ) - args = parser.parse_args() - - # Create parser for the pipeline - pipe_parser = ConfigParser(config=args.pipeline) - pipeline = pipe_parser.parse_pipeline() - - if args.download_only: - print('Downloading datasets and exiting...') - pipeline = pipeline[:1] - - pipeline.execute() diff --git a/use-cases/mnist/torch-lightning/trainer.py b/use-cases/mnist/torch-lightning/trainer.py deleted file mode 100644 index 128cf5c6..00000000 --- a/use-cases/mnist/torch-lightning/trainer.py +++ /dev/null @@ -1,40 +0,0 @@ -import os -from typing import Union, Dict, Any - -from itwinai.components import Trainer, monitor_exec -from itwinai.torch.models.mnist import MNISTModel -from dataloader import MNISTDataModule -from lightning.pytorch.cli import LightningCLI -from utils import load_yaml - - -class LightningMNISTTrainer(Trainer): - def __init__(self, config: Union[Dict, str]): - super().__init__() - self.save_parameters(**self.locals2params(locals())) - if isinstance(config, str) and os.path.isfile(config): - # Load from YAML - config = load_yaml(config) - self.conf = config - - @monitor_exec - def execute(self) -> Any: - cli = LightningCLI( - args=self.conf, - model_class=MNISTModel, - datamodule_class=MNISTDataModule, - run=False, - save_config_kwargs={ - "overwrite": True, - "config_filename": "pl-training.yml", - }, - subclass_mode_model=True, - subclass_mode_data=True, - ) - cli.trainer.fit(cli.model, datamodule=cli.datamodule) - - def save_state(self): - return super().save_state() - - def load_state(self): - return super().load_state() diff --git a/use-cases/mnist/torch/Dockerfile b/use-cases/mnist/torch/Dockerfile index b4cf3654..5b96feb5 100644 --- a/use-cases/mnist/torch/Dockerfile +++ b/use-cases/mnist/torch/Dockerfile @@ -1,4 +1,5 @@ -FROM python:3.9.12 +# FROM python:3.9 +FROM nvcr.io/nvidia/pytorch:23.09-py3 WORKDIR /usr/src/app @@ -13,6 +14,3 @@ RUN pip install --no-cache-dir . # Add torch MNIST use case COPY use-cases/mnist/torch/* ./ - -# Run inference -CMD [ "python", "train.py", "-p", "inference-pipeline.yaml"] \ No newline at end of file diff --git a/use-cases/mnist/torch/README.md b/use-cases/mnist/torch/README.md index c953671f..e333f14b 100644 --- a/use-cases/mnist/torch/README.md +++ b/use-cases/mnist/torch/README.md @@ -3,10 +3,18 @@ ## Training ```bash -python train.py -p pipeline.yaml [-d] +# Download dataset and exit +itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline --steps dataloading_step + +# Run the whole training pipeline +itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline ``` -Use `-d` flag to run only the fist step in the pipeline. +View training logs on MLFLow server (if activated from the configuration): + +```bash +mlflow ui --backend-store-uri mllogs/mlflow/ +``` ## Inference @@ -30,24 +38,37 @@ Use `-d` flag to run only the fist step in the pipeline. folder containing a CSV file with the predictions as rows. ```bash - python train.py -p inference-pipeline.yaml + itwinai exec-pipeline --config config.yaml --pipe-key inference_pipeline ``` Note the same entry point as for training. -### Docker image +## Docker image Build from project root with ```bash # Local -docker buildx build -t itwinai-mnist-torch-inference -f use-cases/mnist/torch/Dockerfile . +docker buildx build -t itwinai:0.0.1-mnist-torch-0.1 -f use-cases/mnist/torch/Dockerfile . # Ghcr.io -docker buildx build -t ghcr.io/intertwin-eu/itwinai-mnist-torch-inference:0.0.1 -f use-cases/mnist/torch/Dockerfile . -docker push ghcr.io/intertwin-eu/itwinai-mnist-torch-inference:0.0.1 +docker buildx build -t ghcr.io/intertwin-eu/itwinai:0.0.1-mnist-torch-0.1 -f use-cases/mnist/torch/Dockerfile . +docker push ghcr.io/intertwin-eu/itwinai:0.0.1-mnist-torch-0.1 ``` +### Training with Docker container + +```bash +docker run -it --rm --name running-inference \ + -v "$PWD":/usr/data ghcr.io/intertwin-eu/itwinai:0.01-mnist-torch-0.1 \ + /bin/bash -c "itwinai exec-pipeline --print-config \ + --config /usr/src/app/config.yaml \ + --pipe-key training_pipeline \ + -o dataset_root=/usr/data/mnist-dataset " +``` + +### Inference with Docker container + From wherever a sample of MNIST jpg images is available (folder called 'mnist-sample-data/'): @@ -62,7 +83,14 @@ From wherever a sample of MNIST jpg images is available ``` ```bash -docker run -it --rm --name running-inference -v "$PWD":/usr/data ghcr.io/intertwin-eu/itwinai-mnist-torch-inference:0.0.1 +docker run -it --rm --name running-inference \ + -v "$PWD":/usr/data ghcr.io/intertwin-eu/itwinai:0.01-mnist-torch-0.1 \ + /bin/bash -c "itwinai exec-pipeline --print-config \ + --config /usr/src/app/config.yaml \ + --pipe-key inference_pipeline \ + -o test_data_path=/usr/data/mnist-sample-data \ + -o inference_model_mlflow_uri=/usr/src/app/mnist-pre-trained.pth \ + -o predictions_dir=/usr/data/mnist-predictions " ``` This command will store the results in a folder called "mnist-predictions": diff --git a/use-cases/mnist/torch/config.yaml b/use-cases/mnist/torch/config.yaml new file mode 100644 index 00000000..c5d71204 --- /dev/null +++ b/use-cases/mnist/torch/config.yaml @@ -0,0 +1,99 @@ +# General config +dataset_root: .tmp/ +num_classes: 10 +batch_size: 64 +num_workers_dataloader: 4 +pin_memory: False +lr: 0.001 +momentum: 0.9 +fp16_allreduce: False +use_adasum: False +gradient_predivide_factor: 1.0 +epochs: 2 +strategy: ddp +test_data_path: mnist-sample-data +inference_model_mlflow_uri: mnist-pre-trained.pth +predictions_dir: mnist-predictions +predictions_file: predictions.csv +class_labels: null + +# Workflows configuration +training_pipeline: + class_path: itwinai.pipeline.Pipeline + init_args: + steps: + dataloading_step: + class_path: dataloader.MNISTDataModuleTorch + init_args: + save_path: ${dataset_root} + + training_step: + class_path: itwinai.torch.trainer.TorchTrainer + init_args: + config: + batch_size: ${batch_size} + num_workers: ${num_workers_dataloader} + pin_memory: ${pin_memory} + lr: ${lr} + momentum: ${momentum} + fp16_allreduce: ${fp16_allreduce} + use_adasum: ${use_adasum} + gradient_predivide_factor: ${gradient_predivide_factor} + + model: + class_path: model.Net + epochs: ${epochs} + metrics: + accuracy: + class_path: torchmetrics.classification.MulticlassAccuracy + init_args: + num_classes: ${num_classes} + precision: + class_path: torchmetrics.classification.MulticlassPrecision + init_args: + num_classes: ${num_classes} + recall: + class_path: torchmetrics.classification.MulticlassRecall + init_args: + num_classes: ${num_classes} + logger: + class_path: itwinai.loggers.LoggersCollection + init_args: + loggers: + - class_path: itwinai.loggers.ConsoleLogger + init_args: + log_freq: 100 + - class_path: itwinai.loggers.MLFlowLogger + init_args: + experiment_name: MNIST classifier + log_freq: batch + strategy: ${strategy} + # checkpoint_every: 1 + # cluster: + # class_path: itwinai.torch.cluster.LocalCluster + # init_args: + # gpus: '0,1,2' + # backend: nccl + +inference_pipeline: + class_path: itwinai.pipeline.Pipeline + init_args: + steps: + - class_path: dataloader.MNISTPredictLoader + init_args: + test_data_path: ${test_data_path} + + - class_path: itwinai.torch.inference.MulticlassTorchPredictor + init_args: + model: + class_path: itwinai.torch.inference.TorchModelLoader + init_args: + model_uri: ${inference_model_mlflow_uri} + test_dataloader_kwargs: + batch_size: ${batch_size} + + - class_path: saver.TorchMNISTLabelSaver + init_args: + save_dir: ${predictions_dir} + predictions_file: ${predictions_file} + class_labels: ${class_labels} \ No newline at end of file diff --git a/use-cases/mnist/torch/create_inference_sample.py b/use-cases/mnist/torch/create_inference_sample.py new file mode 100644 index 00000000..1c588c48 --- /dev/null +++ b/use-cases/mnist/torch/create_inference_sample.py @@ -0,0 +1,42 @@ +"""Create a simple inference dataset sample and a checkpoint.""" + +import torch +import os +import argparse + +from model import Net +from dataloader import InferenceMNIST + + +def mnist_torch_inference_files( + root: str = '.', + samples_path: str = 'mnist-sample-data/', + model_name: str = 'mnist-pre-trained.pth' +): + """Create sample dataset and fake model to test mnist + inference workflow. Assumes to be run from + the use case folder. + + Args: + root (str, optional): where to create the files. + Defaults to '.'. + """ + + sample = os.path.join(root, samples_path) + InferenceMNIST.generate_jpg_sample(sample, 10) + + # Fake checkpoint + dummy_nn = Net() + mdl_ckpt = os.path.join(root, model_name) + torch.save(dummy_nn, mdl_ckpt) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser() + parser.add_argument("--root", type=str, default='.') + parser.add_argument("--samples-path", type=str, + default='mnist-sample-data') + parser.add_argument("--model-name", type=str, + default='mnist-pre-trained.pth') + args = parser.parse_args() + mnist_torch_inference_files(**vars(args)) diff --git a/use-cases/mnist/torch/dataloader.py b/use-cases/mnist/torch/dataloader.py index e4243763..a19c647e 100644 --- a/use-cases/mnist/torch/dataloader.py +++ b/use-cases/mnist/torch/dataloader.py @@ -34,7 +34,7 @@ def execute(self) -> Tuple[Dataset, Dataset]: transforms.Normalize((0.1307,), (0.3081,)) ])) print("Train and validation datasets loaded.") - return train_dataset, validation_dataset + return train_dataset, validation_dataset, None class InferenceMNIST(Dataset): diff --git a/use-cases/mnist/torch/inference-pipeline.yaml b/use-cases/mnist/torch/inference-pipeline.yaml deleted file mode 100644 index 5edf6ce9..00000000 --- a/use-cases/mnist/torch/inference-pipeline.yaml +++ /dev/null @@ -1,22 +0,0 @@ -pipeline: - class_path: itwinai.pipeline.Pipeline - init_args: - steps: - - class_path: dataloader.MNISTPredictLoader - init_args: - test_data_path: /usr/data/mnist-sample-data - - - class_path: itwinai.torch.inference.MulticlassTorchPredictor - init_args: - model: - class_path: itwinai.torch.inference.TorchModelLoader - init_args: - model_uri: mnist-pre-trained.pth - test_dataloader_kwargs: - batch_size: 3 - - - class_path: saver.TorchMNISTLabelSaver - init_args: - save_dir: /usr/data/mnist-predictions - predictions_file: predictions.csv - class_labels: null \ No newline at end of file diff --git a/use-cases/mnist/torch/pipeline.yaml b/use-cases/mnist/torch/pipeline.yaml deleted file mode 100644 index 99f35c73..00000000 --- a/use-cases/mnist/torch/pipeline.yaml +++ /dev/null @@ -1,56 +0,0 @@ -pipeline: - class_path: itwinai.pipeline.Pipeline - init_args: - steps: - dataloading_step: - class_path: dataloader.MNISTDataModuleTorch - init_args: - save_path: .tmp/ - - training_step: - class_path: itwinai.torch.trainer.TorchTrainerMG - init_args: - model: - class_path: model.Net - loss: - class_path: torch.nn.NLLLoss - init_args: - reduction: mean - optimizer_class: torch.optim.SGD - optimizer_kwargs: - lr: 0.001 - train_dataloader_kwargs: - batch_size: 32 - pin_memory: True - shuffle: True - validation_dataloader_kwargs: - batch_size: 32 - pin_memory: True - shuffle: False - epochs: 2 - train_metrics: - accuracy: - class_path: torchmetrics.classification.MulticlassAccuracy - init_args: - num_classes: 10 - precision: - class_path: torchmetrics.classification.MulticlassPrecision - init_args: - num_classes: 10 - recall: - class_path: torchmetrics.classification.MulticlassRecall - init_args: - num_classes: 10 - logger: - - class_path: itwinai.loggers.ConsoleLogger - - class_path: itwinai.loggers.MLFlowLogger - init_args: - experiment_name: MNIST classifier - log_freq: batch - strategy: ddp - checkpoint_every: 1 - cluster: - class_path: itwinai.torch.cluster.LocalCluster - init_args: - gpus: '0,1,2' - backend: nccl diff --git a/use-cases/mnist/torch/runall.sh b/use-cases/mnist/torch/runall.sh new file mode 100644 index 00000000..e81ed74d --- /dev/null +++ b/use-cases/mnist/torch/runall.sh @@ -0,0 +1,39 @@ +#!/bin/bash + +# Python virtual environment (no conda/micromamba) +PYTHON_VENV="../../../envAI_hdfml" + +# Clear SLURM logs (*.out and *.err files) +rm -rf logs_slurm +mkdir logs_slurm +rm -rf logs_torchrun + +# DDP itwinai +DIST_MODE="ddp" +RUN_NAME="ddp-itwinai" +TRAINING_CMD="$PYTHON_VENV/bin/itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline -o strategy=ddp" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh + +# DeepSpeed itwinai +DIST_MODE="deepspeed" +RUN_NAME="deepspeed-itwinai" +TRAINING_CMD="$PYTHON_VENV/bin/itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline -o strategy=deepspeed" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh + +# Horovod itwinai +DIST_MODE="horovod" +RUN_NAME="horovod-itwinai" +TRAINING_CMD="$PYTHON_VENV/bin/itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline -o strategy=horovod" +sbatch --export=ALL,DIST_MODE="$DIST_MODE",RUN_NAME="$RUN_NAME",TRAINING_CMD="$TRAINING_CMD",PYTHON_VENV="$PYTHON_VENV" \ + --job-name="$RUN_NAME-n$N" \ + --output="logs_slurm/job-$RUN_NAME-n$N.out" \ + --error="logs_slurm/job-$RUN_NAME-n$N.err" \ + slurm.sh \ No newline at end of file diff --git a/use-cases/mnist/torch/slurm.sh b/use-cases/mnist/torch/slurm.sh new file mode 100644 index 00000000..2a2a15d8 --- /dev/null +++ b/use-cases/mnist/torch/slurm.sh @@ -0,0 +1,116 @@ +#!/bin/bash + +# SLURM jobscript for JSC systems + +# Job configuration +#SBATCH --job-name=distributed_training +#SBATCH --account=intertwin +#SBATCH --mail-user= +#SBATCH --mail-type=ALL +#SBATCH --output=job.out +#SBATCH --error=job.err +#SBATCH --time=00:30:00 + +# Resources allocation +#SBATCH --partition=batch +#SBATCH --nodes=2 +#SBATCH --gpus-per-node=4 +#SBATCH --cpus-per-gpu=4 +#SBATCH --exclusive + +# gres options have to be disabled for deepv +#SBATCH --gres=gpu:4 + +# Load environment modules +ml Stages/2024 GCC OpenMPI CUDA/12 MPI-settings/CUDA Python HDF5 PnetCDF libaio mpi4py + +# Job info +echo "DEBUG: TIME: $(date)" +sysN="$(uname -n | cut -f2- -d.)" +sysN="${sysN%%[0-9]*}" +echo "Running on system: $sysN" +echo "DEBUG: EXECUTE: $EXEC" +echo "DEBUG: SLURM_SUBMIT_DIR: $SLURM_SUBMIT_DIR" +echo "DEBUG: SLURM_JOB_ID: $SLURM_JOB_ID" +echo "DEBUG: SLURM_JOB_NODELIST: $SLURM_JOB_NODELIST" +echo "DEBUG: SLURM_NNODES: $SLURM_NNODES" +echo "DEBUG: SLURM_NTASKS: $SLURM_NTASKS" +echo "DEBUG: SLURM_TASKS_PER_NODE: $SLURM_TASKS_PER_NODE" +echo "DEBUG: SLURM_SUBMIT_HOST: $SLURM_SUBMIT_HOST" +echo "DEBUG: SLURMD_NODENAME: $SLURMD_NODENAME" +echo "DEBUG: CUDA_VISIBLE_DEVICES: $CUDA_VISIBLE_DEVICES" +if [ "$DEBUG" = true ] ; then + echo "DEBUG: NCCL_DEBUG=INFO" + export NCCL_DEBUG=INFO +fi +echo + +# Setup env for distributed ML +export CUDA_VISIBLE_DEVICES="0,1,2,3" +export OMP_NUM_THREADS=1 +if [ "$SLURM_CPUS_PER_GPU" -gt 0 ] ; then + export OMP_NUM_THREADS=$SLURM_CPUS_PER_GPU +fi + +# Env vairables check +if [ -z "$DIST_MODE" ]; then + >&2 echo "ERROR: env variable DIST_MODE is not set. Allowed values are 'horovod', 'ddp' or 'deepspeed'" + exit 1 +fi +if [ -z "$RUN_NAME" ]; then + >&2 echo "WARNING: env variable RUN_NAME is not set. It's a way to identify some specific run of an experiment." + RUN_NAME=$DIST_MODE +fi +if [ -z "$TRAINING_CMD" ]; then + >&2 echo "ERROR: env variable TRAINING_CMD is not set. It's the python command to execute." + exit 1 +fi +if [ -z "$PYTHON_VENV" ]; then + >&2 echo "WARNING: env variable PYTHON_VENV is not set. It's the path to a python virtual environment." +else + # Activate Python virtual env + source $PYTHON_VENV/bin/activate +fi + +# Get GPUs info per node +srun --cpu-bind=none --ntasks-per-node=1 bash -c 'echo -e "NODE hostname: $(hostname)\n$(nvidia-smi)\n\n"' + +# Launch training +if [ "$DIST_MODE" == "ddp" ] ; then + echo "DDP training: $TRAINING_CMD" + srun --cpu-bind=none --ntasks-per-node=1 \ + bash -c "torchrun \ + --log_dir='logs_torchrun' \ + --nnodes=$SLURM_NNODES \ + --nproc_per_node=$SLURM_GPUS_PER_NODE \ + --rdzv_id=$SLURM_JOB_ID \ + --rdzv_conf=is_host=\$(((SLURM_NODEID)) && echo 0 || echo 1) \ + --rdzv_backend=c10d \ + --rdzv_endpoint='$(scontrol show hostnames "$SLURM_JOB_NODELIST" | head -n 1)'i:29500 \ + $TRAINING_CMD" +elif [ "$DIST_MODE" == "deepspeed" ] ; then + echo "DEEPSPEED training: $TRAINING_CMD" + MASTER_ADDR=$(scontrol show hostnames "\$SLURM_JOB_NODELIST" | head -n 1)i + export MASTER_ADDR + export MASTER_PORT=29500 + + srun --cpu-bind=none --ntasks-per-node=$SLURM_GPUS_PER_NODE --cpus-per-task=$SLURM_CPUS_PER_GPU \ + $TRAINING_CMD + + # # Run with deepspeed launcher: set --ntasks-per-node=1 + # # https://www.deepspeed.ai/getting-started/#multi-node-environment-variables + # export NCCL_IB_DISABLE=1 + # export NCCL_SOCKET_IFNAME=eth0 + # nodelist=$(scontrol show hostname $SLURM_NODELIST) + # echo "$nodelist" | sed -e 's/$/ slots=4/' > .hostfile + # # Requires passwordless SSH access among compute node + # srun --cpu-bind=none deepspeed --hostfile=.hostfile $TRAINING_CMD --deepspeed + # rm .hostfile +elif [ "$DIST_MODE" == "horovod" ] ; then + echo "HOROVOD training: $TRAINING_CMD" + srun --cpu-bind=none --ntasks-per-node=$SLURM_GPUS_PER_NODE --cpus-per-task=$SLURM_CPUS_PER_GPU \ + $TRAINING_CMD +else + >&2 echo "ERROR: unrecognized \$DIST_MODE env variable" + exit 1 +fi diff --git a/use-cases/mnist/torch/train.py b/use-cases/mnist/torch/train.py deleted file mode 100644 index 97f53093..00000000 --- a/use-cases/mnist/torch/train.py +++ /dev/null @@ -1,44 +0,0 @@ -""" -Training pipeline. To run this script, use the following commands. - -On login node: - ->>> micromamba run -p ../../../.venv-pytorch/ \ - python train.py -p pipeline.yaml -d - -On compute nodes: - ->>> micromamba run -p ../../../.venv-pytorch/ \ - python train.py -p pipeline.yaml - -""" - -import argparse - -from itwinai.parser import ConfigParser - - -if __name__ == "__main__": - parser = argparse.ArgumentParser() - parser.add_argument( - "-p", "--pipeline", type=str, required=True, - help='Configuration file to the pipeline to execute.' - ) - parser.add_argument( - '-d', '--download-only', - action=argparse.BooleanOptionalAction, - default=False, - help=('Whether to download only the dataset and exit execution ' - '(suggested on login nodes of HPC systems)') - ) - args = parser.parse_args() - - # Create parser for the pipeline - pipe_parser = ConfigParser(config=args.pipeline) - pipeline = pipe_parser.parse_pipeline() - - if args.download_only: - print('Downloading datasets and exiting...') - pipeline = pipeline[:1] - - pipeline.execute() From e052d1cb712be44ec38d55877776c8f9d16a74c4 Mon Sep 17 00:00:00 2001 From: Matteo Bunino <48362942+matbun@users.noreply.github.com> Date: Tue, 30 Apr 2024 16:12:59 +0200 Subject: [PATCH 3/3] 3dgan integration (#134) * fixed distributed trainer in cyclones use case * commiting integration of 3dgan scripts * ADD: Download dataset * FIX: DDP distributed training with manual optimization * ADD: log with MLFlow * Sqaaas code (#88) * Create sqaaas.yml * Update sqaaas.yml * Update sqaaas.yml * Point to the current repo * Remove unnecessary checkout step * Rename step --------- Co-authored-by: orviz * Sqaaas code (#89) * Create sqaaas.yml * Update sqaaas.yml * Update sqaaas.yml * Point to the current repo * Remove unnecessary checkout step * Rename step * ADD: adaptive branch discovery for SQAaaS action * Update sqaaas.yml --------- Co-authored-by: orviz * ADD: draft predictor and saver * ADD: stub for inference pipeline * ADD: small docs * UPDATE: inference pipeline components * UPDATE: reorg * ADD: image generation for inference * update tag * ADD: threshold * ADD: draft inference * ADD: draft inference wf * ADD: working inference workflow * ADD: 3D scatter plots * ADD: Dockerfile + refactor * ADD: .dockerignore * Update .dockerignore * ADD: skip download option * ADD: cern pipeline.yaml * UPDATE: dataset loading function * UPDATE: dataset loading function * UPDATE conf * UPDATE refactor * UPDATE refactor * UPDATE training docs * Update readme * update README * FIX typo * Update README * Update mkdir * UPDATE data paths * UPDATE Dockerfile * UPDATE Dockerfiles * UPDATE for Singularity execution * FIX version mismatch * UPDATE Singularity docs * Named steps pipe (#100) * ADD: dict steps pipe * Relax dependency constraint * UPDATE Singularity exec command * UPDATE: Image version * UPDATE: load components from pipeline * ADD: docs * Simplify 3DGAN model config * ADD: mlflow autologging support for PL trainer * UPDATE container info * Refactor * UPDATE dependencies * FIX linter problem * Simplified workflow configuration (#108) * Add SQAaaS dynamic badge for dev branch (#104) * Add SQAaaS dynamic badge * Upgrade to sqaaas-assessment-action@v2 * Add draft example * UPDATE credits field * ADD docs * REFACTOR components and pipeline code * UPDATE docstring * UPDATE mnist torch uc * ADD config file parser draft * ADD itwinaiCLI and ConfigParser * ADD docs * ADD pipeline parser and serializer plus tests * UPDATE docs * ADD adapter component and tests (incl parser) * ADD splitter component, improve pipeline, tests * UPDATE test * REMOVE todos * ADD component tests * ADD serializer tests * FIX linter * ADD basic workflow tutorial * ADD basic intermediate tutorial * ADD advanced tutorial * UPDATE advanced tutorial * UPDATE use cases * UPDATE save parameters * FIX linter * FIX cyclones use case workflow --------- Co-authored-by: orviz * Simplified workflow configuration (#109) * Add SQAaaS dynamic badge for dev branch (#104) * Add SQAaaS dynamic badge * Upgrade to sqaaas-assessment-action@v2 * Add draft example * UPDATE credits field * ADD docs * REFACTOR components and pipeline code * UPDATE docstring * UPDATE mnist torch uc * ADD config file parser draft * ADD itwinaiCLI and ConfigParser * ADD docs * ADD pipeline parser and serializer plus tests * UPDATE docs * ADD adapter component and tests (incl parser) * ADD splitter component, improve pipeline, tests * UPDATE test * REMOVE todos * ADD component tests * ADD serializer tests * FIX linter * ADD basic workflow tutorial * ADD basic intermediate tutorial * ADD advanced tutorial * UPDATE advanced tutorial * UPDATE use cases * UPDATE save parameters * FIX linter * FIX cyclones use case workflow * ADD slurm jobscript * FIX merge error * FIX components template --------- Co-authored-by: orviz * ADD integration tests * FIX test * FIX 3dgan inference test * ADD GPU support and update tag * FIX linter * ADD override example * UPDATE 3DGAN inference * UPDATE inference execution tutorials * UPDATE README * UPDATE saver saving sparse tensors * ADD interlink pods * UPDATE pod name * UPDATE annotations * FIX README * CLEANUP * Merge * update * ADD tf cpu env * U[date Makefile * FIX 3DGAN tests * FIX data folder path * ADD offloading of 3DGAN training * ADAPT 3DGAN training for singularity execution * UPDATE test and fix linter --------- Co-authored-by: zoechbauer1 Co-authored-by: Kalliopi Tsolaki Co-authored-by: orviz --- .dockerignore | 4 + .github/workflows/documentation.yml | 38 ---- .gitignore | 3 + .vscode/settings.json | 1 + docs/conf.py | 7 +- src/itwinai/torch/mlflow.py | 7 +- tests/use-cases/test_3dgan.py | 31 +-- use-cases/3dgan/Dockerfile | 26 ++- use-cases/3dgan/README.md | 111 +++++----- use-cases/3dgan/cern-pipeline.yaml | 95 -------- use-cases/3dgan/config.yaml | 208 ++++++++++++++++++ use-cases/3dgan/dataloader.py | 3 +- use-cases/3dgan/inference-pipeline.yaml | 106 --------- .../3dgan/interLink/3dgan-inference-cpu.yaml | 36 +-- .../3dgan/interLink/3dgan-inference.yaml | 36 +-- use-cases/3dgan/interLink/3dgan-train.yaml | 88 ++++++++ use-cases/3dgan/interLink/README.md | 11 + use-cases/3dgan/model.py | 19 +- use-cases/3dgan/pipeline.yaml | 91 -------- use-cases/3dgan/trainer.py | 9 +- 20 files changed, 465 insertions(+), 465 deletions(-) delete mode 100644 .github/workflows/documentation.yml delete mode 100644 use-cases/3dgan/cern-pipeline.yaml create mode 100644 use-cases/3dgan/config.yaml delete mode 100644 use-cases/3dgan/inference-pipeline.yaml create mode 100644 use-cases/3dgan/interLink/3dgan-train.yaml delete mode 100644 use-cases/3dgan/pipeline.yaml diff --git a/.dockerignore b/.dockerignore index 697f33f2..d6dc083a 100644 --- a/.dockerignore +++ b/.dockerignore @@ -12,6 +12,10 @@ CHANGELOG # Docs docs +# interLink pods +**/interLink +**/interlink + # Data **/MNIST **/*-predictions/ diff --git a/.github/workflows/documentation.yml b/.github/workflows/documentation.yml deleted file mode 100644 index aeb26d82..00000000 --- a/.github/workflows/documentation.yml +++ /dev/null @@ -1,38 +0,0 @@ -name: Build and Deploy Sphinx Documentation - -# on: -# push: -# branches: -# - docs_dev -# tags: -# - 'v*' - -jobs: - build-and-deploy: - runs-on: ubuntu-latest - - steps: - - uses: actions/checkout@v2 - with: - persist-credentials: false - - - name: Set up Python - uses: actions/setup-python@v2 - with: - python-version: '3.9' - - - name: Install dependencies - run: | - pip install -r docs/requirements.txt - pip install sphinx sphinx-rtd-theme - - - name: Build documentation - run: | - cd docs - make html - - - name: Deploy to GitHub Pages - uses: peaceiris/actions-gh-pages@v3 - with: - github_token: ${{ secrets.GITHUB_TOKEN }} - publish_dir: ./docs/_build/html diff --git a/.gitignore b/.gitignore index dd495607..74cf514d 100644 --- a/.gitignore +++ b/.gitignore @@ -26,6 +26,9 @@ mnist-sample-data/ exp_data/ +# Kubernetes +secret*.yaml + # Custom envs .venv* envAI_* diff --git a/.vscode/settings.json b/.vscode/settings.json index 6f581e8c..08d06d81 100644 --- a/.vscode/settings.json +++ b/.vscode/settings.json @@ -11,6 +11,7 @@ "Convolutional", "cuda", "dataloaders", + "dataloading", "fromlist", "hyperparameters", "hyperparams", diff --git a/docs/conf.py b/docs/conf.py index f4c9b297..a06c3011 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -21,7 +21,8 @@ sys.path.insert(0, os.path.abspath('../')) project = 'itwinai' -copyright = '2024, Matteo Bunino, Alexander Zoechbauer, Kalliopi Tsolaki, Rakesh Sarma on behalf of CERN & JSC' +copyright = ('2024, Matteo Bunino, Alexander Zoechbauer, ' + 'Kalliopi Tsolaki, Rakesh Sarma on behalf of CERN & JSC') author = 'Matteo Bunino, Alexander Zoechbauer, Kalliopi Tsolaki' # version = '0.0' # short version # release = '0.0.2' # full version @@ -43,7 +44,9 @@ def get_git_tag(): try: - return subprocess.check_output(['git', 'describe', '--tags', '--abbrev=0']).decode('utf-8').strip() + return subprocess.check_output( + ['git', 'describe', '--tags', '--abbrev=0'] + ).decode('utf-8').strip() except subprocess.CalledProcessError: return 'unknown' diff --git a/src/itwinai/torch/mlflow.py b/src/itwinai/torch/mlflow.py index 8bc854d4..36992393 100644 --- a/src/itwinai/torch/mlflow.py +++ b/src/itwinai/torch/mlflow.py @@ -37,6 +37,7 @@ def _mlflow_log_pl_config(pl_config: Dict, local_yaml_path: str) -> None: def init_lightning_mlflow( pl_config: Dict, default_experiment_name: str = 'Default', + tmp_dir: str = '.tmp', **autolog_kwargs ) -> None: """Initialize mlflow for pytorch lightning, also setting up @@ -47,6 +48,7 @@ def init_lightning_mlflow( pl_config (Dict): pytorch lightning configuration loaded in memory. default_experiment_name (str, optional): used as experiment name if it is not given in the lightning conf. Defaults to 'Default'. + tmp_dir (str): where to temporarily store some artifacts. **autolog_kwargs (kwargs): args for mlflow.pytorch.autolog(...). """ mlflow_conf: Optional[Dict] = _get_mlflow_logger_conf(pl_config) @@ -65,12 +67,13 @@ def init_lightning_mlflow( mlflow.set_tracking_uri(tracking_uri) mlflow.set_experiment(experiment_name) mlflow.pytorch.autolog(**autolog_kwargs) - mlflow.start_run() + run = mlflow.start_run() + print(f"MLFlow's artifacts URI: {run.info.artifact_uri}") mlflow_conf['experiment_name'] = experiment_name mlflow_conf['run_id'] = mlflow.active_run().info.run_id - _mlflow_log_pl_config(pl_config, '.tmp/pl_config.yml') + _mlflow_log_pl_config(pl_config, os.path.join(tmp_dir, 'pl_config.yml')) def teardown_lightning_mlflow() -> None: diff --git a/tests/use-cases/test_3dgan.py b/tests/use-cases/test_3dgan.py index 9d19d1f3..7f4503e4 100644 --- a/tests/use-cases/test_3dgan.py +++ b/tests/use-cases/test_3dgan.py @@ -21,12 +21,11 @@ def test_3dgan_train(torch_env, tmp_test_dir, install_requirements): Test 3DGAN torch lightning trainer by running it end-to-end. """ install_requirements(CERN_PATH, torch_env) - conf = os.path.join(os.path.abspath(CERN_PATH), 'pipeline.yaml') - trainer_params = "pipeline.init_args.steps.training_step.init_args" + conf = os.path.join(os.path.abspath(CERN_PATH), 'config.yaml') cmd = (f"{torch_env}/bin/itwinai exec-pipeline " - f"--config {conf} " - f'-o {trainer_params}.config.trainer.accelerator=cpu ' - f'-o {trainer_params}.config.trainer.strategy=auto ' + f"--config {conf} --pipe-key training_pipeline " + '-o hw_accelerators=auto ' + '-o distributed_strategy=auto ' ) subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) @@ -52,21 +51,15 @@ def test_3dgan_inference( subprocess.run(cmd.split(), check=True, cwd=tmp_test_dir) # Test inference - conf = os.path.join(os.path.abspath(CERN_PATH), 'inference-pipeline.yaml') - getter_params = "pipeline.init_args.steps.dataloading_step.init_args" - trainer_params = "pipeline.init_args.steps.inference_step.init_args" - logger_params = trainer_params + ".config.trainer.logger.init_args" - data_params = trainer_params + ".config.data.init_args" - saver_params = "pipeline.init_args.steps.saver_step.init_args" + conf = os.path.join(os.path.abspath(CERN_PATH), 'config.yaml') cmd = ( f'{torch_env}/bin/itwinai exec-pipeline ' - f'--config {conf} ' - f'-o {getter_params}.data_path=exp_data ' - f'-o {trainer_params}.model.init_args.model_uri={CKPT_NAME} ' - f'-o {trainer_params}.config.trainer.accelerator=auto ' - f'-o {trainer_params}.config.trainer.strategy=auto ' - f'-o {logger_params}.save_dir=ml_logs/mlflow_logs ' - f'-o {data_params}.datapath=exp_data/*/*.h5 ' - f'-o {saver_params}.save_dir=3dgan-generated-data ' + f'--config {conf} --pipe-key inference_pipeline ' + '-o dataset_location=exp_data ' + f'-o inference_model_uri={CKPT_NAME} ' + '-o hw_accelerators=auto ' + '-o distributed_strategy=auto ' + '-o logs_dir=ml_logs/mlflow_logs ' + '-o inference_results_location=3dgan-generated-data ' ) subprocess.run(cmd.split(), check=True, cwd=CERN_PATH) diff --git a/use-cases/3dgan/Dockerfile b/use-cases/3dgan/Dockerfile index c10d8ec8..26cc3f29 100644 --- a/use-cases/3dgan/Dockerfile +++ b/use-cases/3dgan/Dockerfile @@ -1,19 +1,25 @@ -# FROM python:3.9.12 FROM nvcr.io/nvidia/pytorch:23.09-py3 +# FROM python:3.11 WORKDIR /usr/src/app -RUN pip install --upgrade pip -RUN pip install --no-cache-dir lightning +# Install itwinai +COPY pyproject.toml ./ +COPY src ./ +RUN pip install --upgrade pip \ + && pip install --no-cache-dir lightning \ + && pip install --no-cache-dir . -# Add 3DGAN custom requirements +# Add 3DGAN use case files and install additional requirements COPY use-cases/3dgan/requirements.txt ./ +COPY use-cases/3dgan/* ./ RUN pip install --no-cache-dir -r requirements.txt -# Install itwinai and dependencies -COPY pyproject.toml ./ -COPY src ./ -RUN pip install --no-cache-dir . +# Create non-root user +RUN groupadd -g 10001 dotnet \ + && useradd -m -u 10000 -g dotnet dotnet \ + && chown -R dotnet:dotnet /usr/src/app +USER dotnet:dotnet -# Add 3DGAN use case files -COPY use-cases/3dgan/* ./ \ No newline at end of file +# ENTRYPOINT [ "itwinai", "exec-pipeline" ] +# CMD [ "--config", "pipeline.yaml" ] \ No newline at end of file diff --git a/use-cases/3dgan/README.md b/use-cases/3dgan/README.md index d0bf2c82..53501e89 100644 --- a/use-cases/3dgan/README.md +++ b/use-cases/3dgan/README.md @@ -19,30 +19,22 @@ micromamba virtual environment. ## Training -At CERN, use the dedicated configuration file: +Launch training using `itwinai` and the training configuration: ```bash cd use-cases/3dgan -itwinai exec-pipeline --config cern-pipeline.yaml +itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline # Or better: -micromamba run -p ../../.venv-pytorch/ torchrun --nproc_per_node gpu itwinai exec-pipeline --config cern-pipeline.yaml +micromamba run -p ../../.venv-pytorch/ torchrun --nproc_per_node gpu \ + itwinai exec-pipeline --config config.yaml --pipe-key training_pipeline ``` -Anywhere else, use the general purpose training configuration: +To visualize the logs with MLFLow, if you set a local path as tracking URI, +run the following in the terminal: ```bash -cd use-cases/3dgan -itwinai exec-pipeline --config pipeline.yaml - -# Or better: -micromamba run -p ../../.venv-pytorch/ torchrun --nproc_per_node gpu itwinai exec-pipeline --config pipeline.yaml -``` - -To visualize the logs with MLFLow run the following in the terminal: - -```bash -micromamba run -p ../../.venv-pytorch mlflow ui --backend-store-uri ml_logs/mlflow_logs +micromamba run -p ../../.venv-pytorch mlflow ui --backend-store-uri LOCAL_TRACKING_URI ``` And select the "3DGAN" experiment. @@ -69,12 +61,8 @@ sub-folders: 2. As model, if a pre-trained checkpoint is not available, we can create a dummy version of it with: - ```python - import torch - from model import ThreeDGAN - # Same params as in the training config file! - my_gan = ThreeDGAN() - torch.save(my_gan, '3dgan-inference.pth') + ```bash + python create_inference_sample.py ``` 3. Run inference command. This will generate a `3dgan-generated-data` @@ -82,7 +70,7 @@ folder containing generated particle traces in form of torch tensors (.pth files) and 3D scatter plots (.jpg images). ```bash - itwinai exec-pipeline --config inference-pipeline.yaml + itwinai exec-pipeline --config config.yaml --pipe-key inference_pipeline ``` The inference execution will produce a folder called @@ -120,19 +108,20 @@ export STRATEGY="auto" # distributed strategy export DEVICES="0," # GPU devices list -itwinai exec-pipeline --print-config --config $CERN_CODE_ROOT/inference-pipeline.yaml \ --o pipeline.init_args.steps.dataloading_step.init_args.data_path=$TMP_DATA_ROOT/exp_data \ --o pipeline.init_args.steps.inference_step.init_args.config.trainer.logger.init_args.save_dir=$TMP_DATA_ROOT/ml_logs/mlflow_logs \ --o pipeline.init_args.steps.inference_step.init_args.config.trainer.strategy=$STRATEGY \ --o pipeline.init_args.steps.inference_step.init_args.config.trainer.devices=$DEVICES \ --o pipeline.init_args.steps.inference_step.init_args.config.trainer.accelerator=$ACCELERATOR \ --o pipeline.init_args.steps.inference_step.init_args.model.init_args.model_uri=$CERN_CODE_ROOT/3dgan-inference.pth \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.datapath=$TMP_DATA_ROOT/exp_data/*/*.h5 \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.max_samples=$MAX_DATA_SAMPLES \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.batch_size=$BATCH_SIZE \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.num_workers=$NUM_WORKERS_DL \ --o pipeline.init_args.steps.saver_step.init_args.save_dir=$TMP_DATA_ROOT/3dgan-generated-data \ --o pipeline.init_args.steps.saver_step.init_args.aggregate_predictions=$AGGREGATE_PREDS +itwinai exec-pipeline --print-config --config $CERN_CODE_ROOT/config.yaml \ + --pipe-key inference_pipeline \ + -o dataset_location=$CERN_DATA_ROOT/exp_data \ + -o logs_dir=$TMP_DATA_ROOT/ml_logs/mlflow_logs \ + -o distributed_strategy=$STRATEGY \ + -o devices=$DEVICES \ + -o hw_accelerators=$ACCELERATOR \ + -o checkpoints_path=\\$TMP_DATA_ROOT/checkpoints \ + -o inference_model_uri=$CERN_CODE_ROOT/3dgan-inference.pth \ + -o max_dataset_size=$MAX_DATA_SAMPLES \ + -o batch_size=$BATCH_SIZE \ + -o num_workers_dataloader=$NUM_WORKERS_DL \ + -o inference_results_location=$TMP_DATA_ROOT/3dgan-generated-data \ + -o aggregate_predictions=$AGGREGATE_PREDS ``` ### Docker image @@ -196,17 +185,20 @@ export ACCELERATOR="gpu" # choose "cpu" or "gpu" docker run -it --rm --name running-inference \ -v "$PWD":/usr/data ghcr.io/intertwin-eu/itwinai:0.0.1-3dgan-0.1 \ /bin/bash -c "itwinai exec-pipeline \ ---config inference-pipeline.yaml --print-config \ --o pipeline.init_args.steps.dataloading_step.init_args.data_path=$CERN_DATA_ROOT/exp_data \ --o pipeline.init_args.steps.inference_step.init_args.config.trainer.logger.init_args.save_dir=$CERN_DATA_ROOT/ml_logs/mlflow_logs \ --o pipeline.init_args.steps.inference_step.init_args.config.trainer.accelerator=$ACCELERATOR \ --o pipeline.init_args.steps.inference_step.init_args.model.init_args.model_uri=$CERN_CODE_ROOT/3dgan-inference.pth \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.datapath=$CERN_DATA_ROOT/exp_data/*/*.h5 \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.max_samples=$MAX_DATA_SAMPLES \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.batch_size=$BATCH_SIZE \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.num_workers=$NUM_WORKERS_DL \ --o pipeline.init_args.steps.saver_step.init_args.save_dir=$CERN_DATA_ROOT/3dgan-generated-data \ --o pipeline.init_args.steps.saver_step.init_args.aggregate_predictions=$AGGREGATE_PREDS " + --print-config --config $CERN_CODE_ROOT/config.yaml \ + --pipe-key inference_pipeline \ + -o dataset_location=$CERN_DATA_ROOT/exp_data \ + -o logs_dir=$TMP_DATA_ROOT/ml_logs/mlflow_logs \ + -o distributed_strategy=$STRATEGY \ + -o devices=$DEVICES \ + -o hw_accelerators=$ACCELERATOR \ + -o checkpoints_path=\\$TMP_DATA_ROOT/checkpoints \ + -o inference_model_uri=$CERN_CODE_ROOT/3dgan-inference.pth \ + -o max_dataset_size=$MAX_DATA_SAMPLES \ + -o batch_size=$BATCH_SIZE \ + -o num_workers_dataloader=$NUM_WORKERS_DL \ + -o inference_results_location=$TMP_DATA_ROOT/3dgan-generated-data \ + -o aggregate_predictions=$AGGREGATE_PREDS " ``` #### How to fully exploit GPU resources @@ -231,7 +223,7 @@ Run Docker container with Singularity: ```bash singularity run --nv -B "$PWD":/usr/data docker://ghcr.io/intertwin-eu/itwinai:0.0.1-3dgan-0.1 /bin/bash -c \ -"cd /usr/src/app && itwinai exec-pipeline --config inference-pipeline.yaml" +"cd /usr/src/app && itwinai exec-pipeline --config config.yaml --pipe-key inference_pipeline" ``` Example with overrides (as above for Docker): @@ -248,15 +240,18 @@ export ACCELERATOR="gpu" # choose "cpu" or "gpu" singularity run --nv -B "$PWD":/usr/data docker://ghcr.io/intertwin-eu/itwinai:0.0.1-3dgan-0.1 /bin/bash -c \ "cd /usr/src/app && itwinai exec-pipeline \ ---config inference-pipeline.yaml --print-config \ --o pipeline.init_args.steps.dataloading_step.init_args.data_path=$CERN_DATA_ROOT/exp_data \ --o pipeline.init_args.steps.inference_step.init_args.config.trainer.logger.init_args.save_dir=$CERN_DATA_ROOT/ml_logs/mlflow_logs \ --o pipeline.init_args.steps.inference_step.init_args.config.trainer.accelerator=$ACCELERATOR \ --o pipeline.init_args.steps.inference_step.init_args.model.init_args.model_uri=$CERN_CODE_ROOT/3dgan-inference.pth \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.datapath=$CERN_DATA_ROOT/exp_data/*/*.h5 \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.max_samples=$MAX_DATA_SAMPLES \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.batch_size=$BATCH_SIZE \ --o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.num_workers=$NUM_WORKERS_DL \ --o pipeline.init_args.steps.saver_step.init_args.save_dir=$CERN_DATA_ROOT/3dgan-generated-data \ --o pipeline.init_args.steps.saver_step.init_args.aggregate_predictions=$AGGREGATE_PREDS " + --print-config --config $CERN_CODE_ROOT/config.yaml \ + --pipe-key inference_pipeline \ + -o dataset_location=$CERN_DATA_ROOT/exp_data \ + -o logs_dir=$TMP_DATA_ROOT/ml_logs/mlflow_logs \ + -o distributed_strategy=$STRATEGY \ + -o devices=$DEVICES \ + -o hw_accelerators=$ACCELERATOR \ + -o checkpoints_path=\\$TMP_DATA_ROOT/checkpoints \ + -o inference_model_uri=$CERN_CODE_ROOT/3dgan-inference.pth \ + -o max_dataset_size=$MAX_DATA_SAMPLES \ + -o batch_size=$BATCH_SIZE \ + -o num_workers_dataloader=$NUM_WORKERS_DL \ + -o inference_results_location=$TMP_DATA_ROOT/3dgan-generated-data \ + -o aggregate_predictions=$AGGREGATE_PREDS " ``` diff --git a/use-cases/3dgan/cern-pipeline.yaml b/use-cases/3dgan/cern-pipeline.yaml deleted file mode 100644 index 0bc9a756..00000000 --- a/use-cases/3dgan/cern-pipeline.yaml +++ /dev/null @@ -1,95 +0,0 @@ -pipeline: - class_path: itwinai.pipeline.Pipeline - init_args: - steps: - - class_path: dataloader.Lightning3DGANDownloader - init_args: - data_path: /eos/user/k/ktsolaki/data/3dgan_data - data_url: null # https://drive.google.com/drive/folders/1uPpz0tquokepptIfJenTzGpiENfo2xRX - - - class_path: trainer.Lightning3DGANTrainer - init_args: - # Pytorch lightning config for training - config: - seed_everything: 4231162351 - trainer: - accelerator: auto - accumulate_grad_batches: 1 - barebones: false - benchmark: null - callbacks: - - class_path: lightning.pytorch.callbacks.early_stopping.EarlyStopping - init_args: - monitor: val_generator_loss - patience: 2 - - class_path: lightning.pytorch.callbacks.lr_monitor.LearningRateMonitor - init_args: - logging_interval: step - - class_path: lightning.pytorch.callbacks.ModelCheckpoint - init_args: - dirpath: checkpoints - filename: best-checkpoint - mode: min - monitor: val_generator_loss - save_top_k: 1 - verbose: true - check_val_every_n_epoch: 1 - default_root_dir: null - detect_anomaly: false - deterministic: null - devices: auto #[0] - enable_checkpointing: true - enable_model_summary: null - enable_progress_bar: null - fast_dev_run: false - gradient_clip_algorithm: null - gradient_clip_val: null - inference_mode: true - limit_predict_batches: null - limit_test_batches: null - limit_train_batches: null - limit_val_batches: null - log_every_n_steps: 2 - logger: - # - class_path: lightning.pytorch.loggers.CSVLogger - # init_args: - # save_dir: ml_logs/csv_logs - class_path: lightning.pytorch.loggers.MLFlowLogger - init_args: - experiment_name: 3DGAN - save_dir: ml_logs/mlflow_logs - log_model: all - max_epochs: 100 - max_steps: -1 - max_time: null - min_epochs: null - min_steps: null - num_sanity_val_steps: null - overfit_batches: 0.0 - plugins: null - profiler: null - reload_dataloaders_every_n_epochs: 0 - strategy: ddp_find_unused_parameters_true #auto - sync_batchnorm: false - use_distributed_sampler: true - val_check_interval: null - - # Lightning Model configuration - model: - class_path: model.ThreeDGAN - init_args: - latent_size: 256 - batch_size: 128 - loss_weights: [3, 0.1, 25, 0.1] - power: 0.85 - lr: 0.001 - checkpoint_path: checkpoints/3dgan.pth - - # Lightning data module configuration - data: - class_path: dataloader.ParticlesDataModule - init_args: - datapath: /eos/user/k/ktsolaki/data/3dgan_data/*.h5 # exp_data/*/*.h5 - batch_size: 128 - num_workers: 0 - max_samples: 10000 diff --git a/use-cases/3dgan/config.yaml b/use-cases/3dgan/config.yaml new file mode 100644 index 00000000..d23288d5 --- /dev/null +++ b/use-cases/3dgan/config.yaml @@ -0,0 +1,208 @@ +# Main configurations +dataset_location: exp_data/ +dataset_url: https://drive.google.com/drive/folders/1uPpz0tquokepptIfJenTzGpiENfo2xRX +hw_accelerators: auto +distributed_strategy: auto #ddp_find_unused_parameters_true +devices: auto #[0] +checkpoints_path: checkpoints +logs_dir: ml_logs +mlflow_tracking_uri: https://131.154.99.166.myip.cloud.infn.it +batch_size: 4 +num_workers_dataloader: 0 +max_epochs: 2 +max_dataset_size: 48 +random_seed: 4231162351 +inference_results_location: 3dgan-generated-data/ +inference_model_uri: 3dgan-inference.pth +aggregate_predictions: false + +# Dataloading step is common and can be reused +dataloading_step: + class_path: dataloader.Lightning3DGANDownloader + init_args: + data_path: ${dataset_location} # Set to null to skip dataset download + data_url: ${dataset_url} + +# AI workflows +training_pipeline: + class_path: itwinai.pipeline.Pipeline + init_args: + steps: + dataloading_step: ${dataloading_step} + + training_step: + class_path: trainer.Lightning3DGANTrainer + init_args: + exp_root: ${logs_dir} + # Pytorch lightning config for training + config: + seed_everything: ${random_seed} + trainer: + accelerator: ${hw_accelerators} + accumulate_grad_batches: 1 + barebones: false + benchmark: null + callbacks: + - class_path: lightning.pytorch.callbacks.early_stopping.EarlyStopping + init_args: + monitor: val_generator_loss + patience: 2 + - class_path: lightning.pytorch.callbacks.lr_monitor.LearningRateMonitor + init_args: + logging_interval: step + - class_path: lightning.pytorch.callbacks.ModelCheckpoint + init_args: + dirpath: ${checkpoints_path} + filename: best-checkpoint + mode: min + monitor: val_generator_loss + save_top_k: 1 + verbose: true + check_val_every_n_epoch: 1 + default_root_dir: null + detect_anomaly: false + deterministic: null + devices: ${devices} + enable_checkpointing: true + enable_model_summary: null + enable_progress_bar: null + fast_dev_run: false + gradient_clip_algorithm: null + gradient_clip_val: null + inference_mode: true + limit_predict_batches: null + limit_test_batches: null + limit_train_batches: null + limit_val_batches: null + log_every_n_steps: 1 + logger: + - class_path: lightning.pytorch.loggers.CSVLogger + init_args: + name: 3DGAN + save_dir: ${logs_dir} + - class_path: lightning.pytorch.loggers.MLFlowLogger + init_args: + experiment_name: 3DGAN + save_dir: null #ml_logs/mlflow_logs + tracking_uri: ${mlflow_tracking_uri} + log_model: all + max_epochs: ${max_epochs} + max_time: null + min_epochs: null + min_steps: null + num_sanity_val_steps: null + overfit_batches: 0.0 + plugins: null + profiler: null + reload_dataloaders_every_n_epochs: 0 + strategy: ${distributed_strategy} + sync_batchnorm: false + use_distributed_sampler: true + val_check_interval: null + + # Lightning Model configuration + model: + class_path: model.ThreeDGAN + init_args: + latent_size: 256 + loss_weights: [3, 0.1, 25, 0.1] + power: 0.85 + lr: 0.001 + checkpoints_dir: ${checkpoints_path} + + # Lightning data module configuration + data: + class_path: dataloader.ParticlesDataModule + init_args: + datapath: ${dataset_location} + batch_size: ${batch_size} + num_workers: ${num_workers_dataloader} + max_samples: ${max_dataset_size} + +inference_pipeline: + class_path: itwinai.pipeline.Pipeline + init_args: + steps: + dataloading_step: ${dataloading_step} + + inference_step: + class_path: trainer.Lightning3DGANPredictor + init_args: + model: + class_path: trainer.LightningModelLoader + init_args: + model_uri: ${inference_model_uri} + + # Pytorch lightning config for training + config: + seed_everything: ${random_seed} + trainer: + accelerator: ${hw_accelerators} + accumulate_grad_batches: 1 + barebones: false + benchmark: null + check_val_every_n_epoch: 1 + default_root_dir: null + detect_anomaly: false + deterministic: null + devices: ${devices} + enable_checkpointing: true + enable_model_summary: null + enable_progress_bar: null + fast_dev_run: false + gradient_clip_algorithm: null + gradient_clip_val: null + inference_mode: true + limit_predict_batches: null + limit_test_batches: null + limit_train_batches: null + limit_val_batches: null + log_every_n_steps: 2 + logger: + # - class_path: lightning.pytorch.loggers.CSVLogger + # init_args: + # save_dir: ml_logs/csv_logs + class_path: lightning.pytorch.loggers.MLFlowLogger + init_args: + experiment_name: 3DGAN + save_dir: ${logs_dir} + log_model: all + max_epochs: ${max_epochs} + max_steps: 20 + max_time: null + min_epochs: null + min_steps: null + num_sanity_val_steps: null + overfit_batches: 0.0 + plugins: null + profiler: null + reload_dataloaders_every_n_epochs: 0 + strategy: ${distributed_strategy} + sync_batchnorm: false + use_distributed_sampler: true + val_check_interval: null + + # Lightning Model configuration + model: + class_path: model.ThreeDGAN + init_args: + latent_size: 256 + loss_weights: [3, 0.1, 25, 0.1] + power: 0.85 + lr: 0.001 + checkpoints_dir: ${checkpoints_path} + + # Lightning data module configuration + data: + class_path: dataloader.ParticlesDataModule + init_args: + datapath: ${dataset_location} + batch_size: ${batch_size} #1024 + num_workers: ${num_workers_dataloader} #4 + max_samples: ${max_dataset_size} #null, 10000 + + saver_step: + class_path: saver.ParticleImagesSaver + init_args: + save_dir: ${inference_results_location} + aggregate_predictions: ${aggregate_predictions} \ No newline at end of file diff --git a/use-cases/3dgan/dataloader.py b/use-cases/3dgan/dataloader.py index b4dcc096..49d2c2f5 100644 --- a/use-cases/3dgan/dataloader.py +++ b/use-cases/3dgan/dataloader.py @@ -58,7 +58,8 @@ def __getitem__(self, idx): def fetch_data(self) -> None: print("Searching in :", self.datapath) - files = sorted(glob.glob(self.datapath)) + files = sorted(glob.glob(os.path.join( + self.datapath, '**/*.h5'), recursive=True)) print("Found {} files. ".format(len(files))) if len(files) == 0: raise RuntimeError(f"No H5 files found at '{self.datapath}'!") diff --git a/use-cases/3dgan/inference-pipeline.yaml b/use-cases/3dgan/inference-pipeline.yaml deleted file mode 100644 index f5125576..00000000 --- a/use-cases/3dgan/inference-pipeline.yaml +++ /dev/null @@ -1,106 +0,0 @@ -pipeline: - class_path: itwinai.pipeline.Pipeline - init_args: - steps: - dataloading_step: - class_path: dataloader.Lightning3DGANDownloader - init_args: - data_path: /usr/data/exp_data/ - data_url: https://drive.google.com/drive/folders/1uPpz0tquokepptIfJenTzGpiENfo2xRX - - inference_step: - class_path: trainer.Lightning3DGANPredictor - init_args: - model: - class_path: trainer.LightningModelLoader - init_args: - model_uri: 3dgan-inference.pth - - # Pytorch lightning config for training - config: - seed_everything: 4231162351 - trainer: - accelerator: auto - accumulate_grad_batches: 1 - barebones: false - benchmark: null - # callbacks: - # # - class_path: lightning.pytorch.callbacks.early_stopping.EarlyStopping - # # init_args: - # # monitor: val_loss - # # patience: 2 - # - class_path: lightning.pytorch.callbacks.lr_monitor.LearningRateMonitor - # init_args: - # logging_interval: step - # # - class_path: lightning.pytorch.callbacks.ModelCheckpoint - # # init_args: - # # dirpath: checkpoints - # # filename: best-checkpoint - # # mode: min - # # monitor: val_loss - # # save_top_k: 1 - # # verbose: true - check_val_every_n_epoch: 1 - default_root_dir: null - detect_anomaly: false - deterministic: null - devices: auto #[0] - enable_checkpointing: true - enable_model_summary: null - enable_progress_bar: null - fast_dev_run: false - gradient_clip_algorithm: null - gradient_clip_val: null - inference_mode: true - limit_predict_batches: null - limit_test_batches: null - limit_train_batches: null - limit_val_batches: null - log_every_n_steps: 2 - logger: - # - class_path: lightning.pytorch.loggers.CSVLogger - # init_args: - # save_dir: ml_logs/csv_logs - class_path: lightning.pytorch.loggers.MLFlowLogger - init_args: - experiment_name: 3DGAN - save_dir: /usr/data/ml_logs/mlflow_logs - log_model: all - max_epochs: 1 - max_steps: 20 - max_time: null - min_epochs: null - min_steps: null - num_sanity_val_steps: null - overfit_batches: 0.0 - plugins: null - profiler: null - reload_dataloaders_every_n_epochs: 0 - strategy: ddp_find_unused_parameters_true #auto - sync_batchnorm: false - use_distributed_sampler: true - val_check_interval: null - - # Lightning Model configuration - model: - class_path: model.ThreeDGAN - init_args: - latent_size: 256 - loss_weights: [3, 0.1, 25, 0.1] - power: 0.85 - lr: 0.001 - - # Lightning data module configuration - data: - class_path: dataloader.ParticlesDataModule - init_args: - datapath: /usr/data/exp_data/*/*.h5 - batch_size: 64 #1024 - num_workers: 2 #4 - max_samples: 10 #null, 10000 - - saver_step: - class_path: saver.ParticleImagesSaver - init_args: - save_dir: /usr/data/3dgan-generated-data - aggregate_predictions: false \ No newline at end of file diff --git a/use-cases/3dgan/interLink/3dgan-inference-cpu.yaml b/use-cases/3dgan/interLink/3dgan-inference-cpu.yaml index 2ba3c0a8..ef9016b4 100644 --- a/use-cases/3dgan/interLink/3dgan-inference-cpu.yaml +++ b/use-cases/3dgan/interLink/3dgan-inference-cpu.yaml @@ -1,29 +1,31 @@ apiVersion: v1 kind: Pod metadata: - name: 3dgan-cpu + name: 3dgan-inference-cpu annotations: - slurm-job.vk.io/flags: "-p gpu --gres=gpu:1 --cpus-per-task=4 --mem=100G --ntasks-per-node=1 --nodes=1" + slurm-job.vk.io/flags: "-p gpu --gres=gpu:1 --cpus-per-task=4 --mem=100G --ntasks-per-node=1 --nodes=1 --time=00:55:00" job.vk.io/singularity-mounts: "--bind /ceph/hpc/data/st2301-itwin-users/egarciagarcia:/exp_data" - #job.vk.io/pre-exec: "singularity pull /ceph/hpc/data/st2301-itwin-users/itwinaiv6_1.sif docker://ghcr.io/intertwin-eu/itwinai:0.0.1-3dgan-0.2" + #job.vk.io/pre-exec: "singularity pull /ceph/hpc/data/st2301-itwin-users/itwinai_v9.5.sif docker://ghcr.io/intertwin-eu/itwinai:0.0.1-3dgan-0.4" spec: automountServiceAccountToken: false containers: - args: - -c - - "\" cd /usr/src/app && itwinai exec-pipeline --print-config --config \\$CERN_CODE_ROOT/inference-pipeline.yaml \ - -o pipeline.init_args.steps.dataloading_step.init_args.data_path=\\$CERN_DATA_ROOT \ - -o pipeline.init_args.steps.inference_step.init_args.config.trainer.logger.init_args.save_dir=\\$TMP_DATA_ROOT/ml_logs/mlflow_logs \ - -o pipeline.init_args.steps.inference_step.init_args.config.trainer.strategy=\\$STRATEGY \ - -o pipeline.init_args.steps.inference_step.init_args.config.trainer.devices=\\$DEVICES \ - -o pipeline.init_args.steps.inference_step.init_args.config.trainer.accelerator=\\$ACCELERATOR \ - -o pipeline.init_args.steps.inference_step.init_args.model.init_args.model_uri=\\$CERN_CODE_ROOT/3dgan-inference.pth \ - -o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.datapath=\\$CERN_DATA_ROOT/*.h5 \ - -o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.max_samples=\\$MAX_DATA_SAMPLES \ - -o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.batch_size=\\$BATCH_SIZE \ - -o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.num_workers=\\$NUM_WORKERS_DL \ - -o pipeline.init_args.steps.saver_step.init_args.save_dir=\\$TMP_DATA_ROOT/3dgan-generated-data \ - -o pipeline.init_args.steps.saver_step.init_args.aggregate_predictions=\\$AGGREGATE_PREDS \"" + - "\" cd /usr/src/app && itwinai exec-pipeline --print-config \ + --config \\$CERN_CODE_ROOT/config.yaml \ + --pipe-key inference_pipeline \ + -o dataset_location=\\$CERN_DATA_ROOT \ + -o logs_dir=\\$TMP_DATA_ROOT/ml_logs/mlflow_logs \ + -o distributed_strategy=\\$STRATEGY \ + -o devices=\\$DEVICES \ + -o hw_accelerators=\\$ACCELERATOR \ + -o inference_model_uri=\\$CERN_CODE_ROOT/3dgan-inference.pth \ + -o checkpoints_path=\\$TMP_DATA_ROOT/checkpoints \ + -o max_dataset_size=\\$MAX_DATA_SAMPLES \ + -o batch_size=\\$BATCH_SIZE \ + -o num_workers_dataloader=\\$NUM_WORKERS_DL \ + -o inference_results_location=\\$TMP_DATA_ROOT/3dgan-generated-data \ + -o aggregate_predictions=\\$AGGREGATE_PREDS \"" command: - /bin/sh env: @@ -47,7 +49,7 @@ spec: value: "auto" - name: DEVICES value: "auto" - image: /ceph/hpc/data/st2301-itwin-users/itwinaiv6_1.sif + image: /ceph/hpc/data/st2301-itwin-users/itwinai_v9.5.sif imagePullPolicy: Always name: oscar-container resources: diff --git a/use-cases/3dgan/interLink/3dgan-inference.yaml b/use-cases/3dgan/interLink/3dgan-inference.yaml index 4a9b4575..c07997de 100644 --- a/use-cases/3dgan/interLink/3dgan-inference.yaml +++ b/use-cases/3dgan/interLink/3dgan-inference.yaml @@ -1,29 +1,31 @@ apiVersion: v1 kind: Pod metadata: - name: 3dgan + name: 3dgan-inference annotations: - slurm-job.vk.io/flags: "-p gpu --gres=gpu:1 --cpus-per-task=4 --mem=100G --ntasks-per-node=1 --nodes=1" + slurm-job.vk.io/flags: "-p gpu --gres=gpu:1 --cpus-per-task=4 --mem=100G --ntasks-per-node=1 --nodes=1 --time=00:55:00" job.vk.io/singularity-mounts: "--bind /ceph/hpc/data/st2301-itwin-users/egarciagarcia:/exp_data" - #job.vk.io/pre-exec: "singularity pull /ceph/hpc/data/st2301-itwin-users/itwinaiv6_1.sif docker://ghcr.io/intertwin-eu/itwinai:0.0.1-3dgan-0.2" + # job.vk.io/pre-exec: "singularity pull /ceph/hpc/data/st2301-itwin-users/itwinai_v9.5.sif docker://ghcr.io/intertwin-eu/itwinai:0.0.1-3dgan-0.4" spec: automountServiceAccountToken: false containers: - args: - -c - - "\" cd /usr/src/app && itwinai exec-pipeline --print-config --config \\$CERN_CODE_ROOT/inference-pipeline.yaml \ - -o pipeline.init_args.steps.dataloading_step.init_args.data_path=\\$CERN_DATA_ROOT \ - -o pipeline.init_args.steps.inference_step.init_args.config.trainer.logger.init_args.save_dir=\\$TMP_DATA_ROOT/ml_logs/mlflow_logs \ - -o pipeline.init_args.steps.inference_step.init_args.config.trainer.strategy=\\$STRATEGY \ - -o pipeline.init_args.steps.inference_step.init_args.config.trainer.devices=\\$DEVICES \ - -o pipeline.init_args.steps.inference_step.init_args.config.trainer.accelerator=\\$ACCELERATOR \ - -o pipeline.init_args.steps.inference_step.init_args.model.init_args.model_uri=\\$CERN_CODE_ROOT/3dgan-inference.pth \ - -o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.datapath=\\$CERN_DATA_ROOT/*.h5 \ - -o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.max_samples=\\$MAX_DATA_SAMPLES \ - -o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.batch_size=\\$BATCH_SIZE \ - -o pipeline.init_args.steps.inference_step.init_args.config.data.init_args.num_workers=\\$NUM_WORKERS_DL \ - -o pipeline.init_args.steps.saver_step.init_args.save_dir=\\$TMP_DATA_ROOT/3dgan-generated-data \ - -o pipeline.init_args.steps.saver_step.init_args.aggregate_predictions=\\$AGGREGATE_PREDS \"" + - "\" cd /usr/src/app && itwinai exec-pipeline --print-config \ + --config \\$CERN_CODE_ROOT/config.yaml \ + --pipe-key inference_pipeline \ + -o dataset_location=\\$CERN_DATA_ROOT \ + -o logs_dir=\\$TMP_DATA_ROOT/ml_logs/mlflow_logs \ + -o distributed_strategy=\\$STRATEGY \ + -o devices=\\$DEVICES \ + -o hw_accelerators=\\$ACCELERATOR \ + -o checkpoints_path=\\$TMP_DATA_ROOT/checkpoints \ + -o inference_model_uri=\\$CERN_CODE_ROOT/3dgan-inference.pth \ + -o max_dataset_size=\\$MAX_DATA_SAMPLES \ + -o batch_size=\\$BATCH_SIZE \ + -o num_workers_dataloader=\\$NUM_WORKERS_DL \ + -o inference_results_location=\\$TMP_DATA_ROOT/3dgan-generated-data \ + -o aggregate_predictions=\\$AGGREGATE_PREDS \"" command: - /bin/sh env: @@ -47,7 +49,7 @@ spec: value: "auto" - name: DEVICES value: "auto" - image: /ceph/hpc/data/st2301-itwin-users/itwinaiv6_1.sif + image: /ceph/hpc/data/st2301-itwin-users/itwinai_v9.5.sif imagePullPolicy: Always name: oscar-container resources: diff --git a/use-cases/3dgan/interLink/3dgan-train.yaml b/use-cases/3dgan/interLink/3dgan-train.yaml new file mode 100644 index 00000000..e0885fd9 --- /dev/null +++ b/use-cases/3dgan/interLink/3dgan-train.yaml @@ -0,0 +1,88 @@ +apiVersion: v1 +kind: Pod +metadata: + name: 3dgan-train + annotations: + slurm-job.vk.io/flags: "-p gpu --gres=gpu:1 --cpus-per-task=4 --mem=100G --ntasks-per-node=1 --nodes=1 --time=00:55:00" + job.vk.io/singularity-mounts: "--bind /ceph/hpc/data/st2301-itwin-users/egarciagarcia:/exp_data" + # job.vk.io/pre-exec: "singularity pull /ceph/hpc/data/st2301-itwin-users/itwinai_v9.5.sif docker://ghcr.io/intertwin-eu/itwinai:0.0.1-3dgan-0.4" +spec: + automountServiceAccountToken: false + containers: + - args: + - -c + - "\" cd /usr/src/app && itwinai exec-pipeline --print-config \ + --config \\$CERN_CODE_ROOT/config.yaml \ + --pipe-key training_pipeline \ + -o dataset_location=\\$CERN_DATA_ROOT \ + -o pipeline.init_args.steps.training_step.init_args.exp_root=\\$TMP_DATA_ROOT \ + -o logs_dir=\\$TMP_DATA_ROOT/ml_logs \ + -o distributed_strategy=\\$STRATEGY \ + -o devices=\\$DEVICES \ + -o hw_accelerators=\\$ACCELERATOR \ + -o checkpoints_path=\\$TMP_DATA_ROOT/checkpoints \ + -o max_samples=\\$MAX_DATA_SAMPLES \ + -o batch_size=\\$BATCH_SIZE \ + -o max_dataset_size=\\$NUM_WORKERS_DL \"" + command: + - /bin/sh + env: + - name: CERN_DATA_ROOT + value: "/exp_data" + - name: CERN_CODE_ROOT + value: "/usr/src/app" + - name: TMP_DATA_ROOT + value: "/exp_data" + - name: MAX_DATA_SAMPLES + value: "1000" + - name: BATCH_SIZE + value: "512" + - name: NUM_WORKERS_DL + value: "4" + - name: ACCELERATOR + value: "gpu" + - name: STRATEGY + value: "auto" + - name: DEVICES + value: "auto" + + # - name: MLFLOW_TRACKING_USERNAME + # valueFrom: + # secretKeyRef: + # name: mlflow-server + # key: username + # - name: MLFLOW_TRACKING_PASSWORD + # valueFrom: + # secretKeyRef: + # name: mlflow-server + # key: password + + - name: MLFLOW_TRACKING_USERNAME + value: "XXX" + - name: MLFLOW_TRACKING_PASSWORD + value: "XXX" + image: /ceph/hpc/data/st2301-itwin-users/itwinai_v9.5.sif + imagePullPolicy: Always + name: oscar-container + resources: + limits: + cpu: "1" + memory: 1Gi + requests: + cpu: "1" + memory: 1Gi + terminationMessagePath: /dev/termination-log + terminationMessagePolicy: File + nodeSelector: + kubernetes.io/hostname: vega-new-vk + tolerations: + - key: virtual-node.interlink/no-schedule + operator: Exists + - effect: NoExecute + key: node.kubernetes.io/not-ready + operator: Exists + tolerationSeconds: 300 + - effect: NoExecute + key: node.kubernetes.io/unreachable + operator: Exists + tolerationSeconds: 300 \ No newline at end of file diff --git a/use-cases/3dgan/interLink/README.md b/use-cases/3dgan/interLink/README.md index d4b6dcca..c2831f7b 100644 --- a/use-cases/3dgan/interLink/README.md +++ b/use-cases/3dgan/interLink/README.md @@ -53,3 +53,14 @@ nodeSelector: ``` Additional info in [interLink](https://github.com/interTwin-eu/interLink) docs. + +## Secrets + +See [this guide](https://kubernetes.io/docs/tasks/inject-data-application/distribute-credentials-secure/#define-container-environment-variables-using-secret-data) +on how to set Kubernetes secretes as env variables of a container. + +Example: + +```bash +kubectl create secret generic mlflow-server --from-literal=username='XYZ' --from-literal=password='ABC' +``` diff --git a/use-cases/3dgan/model.py b/use-cases/3dgan/model.py index 9653c98e..60dd48f9 100644 --- a/use-cases/3dgan/model.py +++ b/use-cases/3dgan/model.py @@ -1,5 +1,5 @@ import sys -# import os +import os # import pickle from collections import defaultdict import math @@ -309,6 +309,7 @@ def __init__( loss_weights=[3, 0.1, 25, 0.1], power=0.85, lr=0.001, + checkpoints_dir: str = '.' # checkpoint_path: str = '3Dgan.pth' ): super().__init__() @@ -319,6 +320,8 @@ def __init__( self.loss_weights = loss_weights self.lr = lr self.power = power + self.checkpoints_dir = checkpoints_dir + os.makedirs(self.checkpoints_dir, exist_ok=True) self.generator = Generator(self.latent_size) self.discriminator = Discriminator(self.power) @@ -544,9 +547,10 @@ def training_step(self, batch, batch_idx): if fake_batch_loss[3] == 100.0 and self.index > 10: # print("Empty image with Ecal loss equal to 100.0 " # f"for {self.index} batch") - torch.save(self.generator.state_dict(), "generator_weights.pth") - torch.save(self.discriminator.state_dict(), - "discriminator_weights.pth") + torch.save(self.generator.state_dict(), os.path.join( + self.checkpoints_dir, "generator_weights.pth")) + torch.save(self.discriminator.state_dict(), os.path.join( + self.checkpoints_dir, "discriminator_weights.pth")) # print("real_batch_loss", real_batch_loss) # print("fake_batch_loss", fake_batch_loss) sys.exit() @@ -609,9 +613,10 @@ def on_train_epoch_end(self): # outputs print(ROW_FMT.format("discriminator (train)", *self.train_history["discriminator"][-1])) - torch.save(self.generator.state_dict(), "generator_weights.pth") - torch.save(self.discriminator.state_dict(), - "discriminator_weights.pth") + torch.save(self.generator.state_dict(), os.path.join( + self.checkpoints_dir, "generator_weights.pth")) + torch.save(self.discriminator.state_dict(), os.path.join( + self.checkpoints_dir, "discriminator_weights.pth")) # with open(self.pklfile, "wb") as f: # pickle.dump({"train": self.train_history, diff --git a/use-cases/3dgan/pipeline.yaml b/use-cases/3dgan/pipeline.yaml deleted file mode 100644 index d6bade54..00000000 --- a/use-cases/3dgan/pipeline.yaml +++ /dev/null @@ -1,91 +0,0 @@ -pipeline: - class_path: itwinai.pipeline.Pipeline - init_args: - steps: - dataloading_step: - class_path: dataloader.Lightning3DGANDownloader - init_args: - data_path: exp_data/ # Set to null to skip dataset download - data_url: https://drive.google.com/drive/folders/1uPpz0tquokepptIfJenTzGpiENfo2xRX - - training_step: - class_path: trainer.Lightning3DGANTrainer - init_args: - # Pytorch lightning config for training - config: - seed_everything: 4231162351 - trainer: - accelerator: auto - accumulate_grad_batches: 1 - barebones: false - benchmark: null - callbacks: - - class_path: lightning.pytorch.callbacks.early_stopping.EarlyStopping - init_args: - monitor: val_generator_loss - patience: 2 - - class_path: lightning.pytorch.callbacks.lr_monitor.LearningRateMonitor - init_args: - logging_interval: step - - class_path: lightning.pytorch.callbacks.ModelCheckpoint - init_args: - dirpath: checkpoints - filename: best-checkpoint - mode: min - monitor: val_generator_loss - save_top_k: 1 - verbose: true - check_val_every_n_epoch: 1 - default_root_dir: null - detect_anomaly: false - deterministic: null - devices: auto #[0] - enable_checkpointing: true - enable_model_summary: null - enable_progress_bar: null - fast_dev_run: false - gradient_clip_algorithm: null - gradient_clip_val: null - inference_mode: true - limit_predict_batches: null - limit_test_batches: null - limit_train_batches: null - limit_val_batches: null - log_every_n_steps: 1 - logger: - class_path: lightning.pytorch.loggers.MLFlowLogger - init_args: - experiment_name: 3DGAN - save_dir: ml_logs/mlflow_logs - log_model: all - max_epochs: 5 - max_time: null - min_epochs: null - min_steps: null - num_sanity_val_steps: null - overfit_batches: 0.0 - plugins: null - profiler: null - reload_dataloaders_every_n_epochs: 0 - strategy: auto #ddp_find_unused_parameters_true - sync_batchnorm: false - use_distributed_sampler: true - val_check_interval: null - - # Lightning Model configuration - model: - class_path: model.ThreeDGAN - init_args: - latent_size: 256 - loss_weights: [3, 0.1, 25, 0.1] - power: 0.85 - lr: 0.001 - - # Lightning data module configuration - data: - class_path: dataloader.ParticlesDataModule - init_args: - datapath: exp_data/*/*.h5 - batch_size: 4 - num_workers: 0 - max_samples: 48 diff --git a/use-cases/3dgan/trainer.py b/use-cases/3dgan/trainer.py index 8e022bc9..f51b5d5a 100644 --- a/use-cases/3dgan/trainer.py +++ b/use-cases/3dgan/trainer.py @@ -23,17 +23,22 @@ class Lightning3DGANTrainer(Trainer): - def __init__(self, config: Union[Dict, str]): + def __init__(self, config: Union[Dict, str], exp_root: str = '.'): self.save_parameters(**self.locals2params(locals())) super().__init__() if isinstance(config, str) and os.path.isfile(config): # Load from YAML config = load_yaml(config) self.conf = config + self.exp_root = exp_root @monitor_exec def execute(self) -> Any: - init_lightning_mlflow(self.conf, registered_model_name='3dgan-lite') + init_lightning_mlflow( + self.conf, + tmp_dir=os.path.join(self.exp_root, '.tmp'), + registered_model_name='3dgan-lite' + ) old_argv = sys.argv sys.argv = ['some_script_placeholder.py'] cli = LightningCLI(