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doku:python [2023/08/25 07:32] – jz | doku:python [2024/09/18 11:14] (current) – katrin | ||
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- | ====== Python | + | ====== Python |
- | Previously we recommended using spack python packages, however we decided to deprecate this approach since it is much easier and user friendly to use ''' | + | Previously we recommended using spack python packages, however we decided to **deprecate** this approach since it is much easier and user friendly to use ''' |
- | The documentation is currently in the process of being revised. For now please either use the old information that is still available OR use the new quickstart guide below. | + | Have a look at the new **quickstart guide** below or the material from the python4hpc training: [[https:// |
- | ===== (Conda) Quickstart ===== | + | The old approach is now // |
- | To install a new environment start with creating an environment yaml file and store it in a safe location (ideally in your source code repository). This step is optional but we really recommend it so you and everyone in your team is able to produce the same python environment. | + | ===== Quickstart: Using Python with Conda ===== |
+ | |||
+ | To install a new environment, start with creating an **environment yaml file** and store it in a safe location (ideally in your source code repository). | ||
+ | |||
+ | This step is optional but we really | ||
+ | |||
+ | To find valid conda package names look at [[https:// | ||
+ | |||
+ | Example (add your own packages below dependencies): | ||
< | < | ||
name: my-env | name: my-env | ||
+ | channels: | ||
+ | - conda-forge | ||
dependencies: | dependencies: | ||
- python=3.10 | - python=3.10 | ||
- | - tensorflow-gpu=2.6.0 | + | - tensorflow=2.15.0 |
</ | </ | ||
- | Afterwards you can then use conda like this: | + | You can the install your environment by using the following commands: |
< | < | ||
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# create your environment via environment file | # create your environment via environment file | ||
# this will place the environment in your ~/ | # this will place the environment in your ~/ | ||
- | # note: make sure to use "conda >env< create" | + | # note: |
- | (base) $ conda env create | + | # - make sure to use "conda >env< create" |
+ | # - the name is taken from the yaml file; a custom name can be specified with "-n my-custom-name" | ||
+ | (base) $ conda env create --file my_env.yaml | ||
# after creation you can activate the environment to run code in it | # after creation you can activate the environment to run code in it | ||
- | (base) $ conda activate | + | (base) $ conda activate |
# test python version to make sure we have the right one | # test python version to make sure we have the right one | ||
- | (my-env) $ python --version | + | (my_env) $ python --version |
Python 3.10.11 | Python 3.10.11 | ||
</ | </ | ||
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#SBATCH --job-name=slurm_conda_example | #SBATCH --job-name=slurm_conda_example | ||
- | #SBATCH --time 00-00:05:00 | + | #SBATCH --time=00-00:05:00 |
#SBATCH --ntasks=2 | #SBATCH --ntasks=2 | ||
#SBATCH --mem=2GB | #SBATCH --mem=2GB | ||
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</ | </ | ||
- | ==== FAQ ==== | + | ===== More info about Conda ===== |
+ | |||
+ | For more information about conda check-out the conda notebook of the python4HPC training material: [[https:// | ||
+ | |||
+ | ===== FAQ ===== | ||
* **''' | * **''' | ||
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Make sure to use the currently provided ''' | Make sure to use the currently provided ''' | ||
- | * **I dont get the right python version and packages** / **I see the error ''' | + | * **I dont get the right python version and packages in my slurm batch file environment** - **What is wrong>? |
- | The default for sbatch is to use the current user environment | + | Make sure that one of the first things in your sbatch |
+ | |||
+ | * **I don't get GPU/CUDA enabled packages when installing a conda environment** / **I get conda installation errors when i select GPU/CUDA enabled builds for my conda environment*** | ||
+ | |||
+ | In order to install packages | ||
+ | < | ||
+ | name: my-pytorch-gpu-env | ||
+ | channels: | ||
+ | - pytorch | ||
+ | - conda-forge | ||
+ | dependencies: | ||
+ | - python=3.12 | ||
+ | - pytorch=2.2.*=*cuda11.8* | ||
+ | </ | ||
+ | |||
+ | < | ||
+ | # for example if you use cuda 11.8 | ||
+ | CONDA_OVERRIDE_CUDA=" | ||
+ | </ | ||
- | Alternatively you can also use sbatch with the ''' | ||
====== Deprecated Information (work in progress) ====== | ====== Deprecated Information (work in progress) ====== | ||
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==== Channels ==== | ==== Channels ==== | ||
- | The '' | + | The '' |
Popular channels | Popular channels | ||
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If you want to set e.g. '' | If you want to set e.g. '' | ||
<code bash> | <code bash> | ||
+ | conda config –remove channels defaults | ||
conda config --add channels conda-forge | conda config --add channels conda-forge | ||
</ | </ | ||
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< | < | ||
conda install pytorch==1.13.1 torchvision==0.14.1 torchaudio==0.13.1 pytorch-cuda=11.6 -c pytorch -c nvidia | conda install pytorch==1.13.1 torchvision==0.14.1 torchaudio==0.13.1 pytorch-cuda=11.6 -c pytorch -c nvidia | ||
+ | </ | ||
+ | |||
+ | |||
+ | As of 2023-08-25: you can also install the current pytorch version with an older cuda version via: | ||
+ | < | ||
+ | conda install pytorch torchvision torchaudio cudatoolkit=11.6 -c pytorch -c nvidia | ||
</ | </ | ||