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When you first establish the ssh connection to Rackham, your VSCode server directory .vscode-server will be created in your home folder /home/[username].
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This also where VS Code will install all your extentions that can quickly fill up your home directory.
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This also where VS Code will install all your extensions that can quickly fill up your home directory.
Copy file name to clipboardExpand all lines: docs/day2/IDEs_cmd.rst
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Spyder is not available on Dardel.
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- Use the conda env you created in Exercise 2 in `Use isolated environemnts<https://uppmax.github.io/HPC-python/day2/use_isolated_environments.html#exercises>`_
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- Use the conda env you created in Exercise 2 in `Use isolated environments<https://uppmax.github.io/HPC-python/day2/use_isolated_environments.html#exercises>`_
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.. code-block:: console
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Spyder is not available centrally on Rackham.
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- Use the conda env you created in Exercise 2 in `Use isolated environemnts<https://uppmax.github.io/HPC-python/day2/use_isolated_environments.html#exercises>`_
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- Use the conda env you created in Exercise 2 in `Use isolated environments<https://uppmax.github.io/HPC-python/day2/use_isolated_environments.html#exercises>`_
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.. code-block:: console
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When you first establish the ssh connection to the cluster, your VSCode server directory .vscode-server will be created in your home folder /home/[username].
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This also where VS Code will install all your extentions that can quickly fill up your home directory.
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This also where VS Code will install all your extensions that can quickly fill up your home directory.
Copy file name to clipboardExpand all lines: docs/day2/may2024/install_packages.rst
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- With a virtual environment you can tailor an environment with specific versions for Python and packages, not interfering with other installed python versions and packages.
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- Make it for each project you have for reproducibility.
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- There are different tools to create virtual environemnts.
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- There are different tools to create virtual environments.
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- UPPMAX has ``conda`` and ``venv`` and ``virtualenv``
Copy file name to clipboardExpand all lines: docs/day3/big_data.rst
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.. admonition:: What is it?
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:class: dropdown
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- **High-performace data analytics (HPDA)**, a subset of high-performance computing which focuses on working with **large data**.
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- **High-performance data analytics (HPDA)**, a subset of high-performance computing which focuses on working with **large data**.
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- The data can come from either computer models and simulations or from experiments and observations, and the goal is to preprocess, analyse and visualise it to generate scientific results.
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.. important::
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- You do not have to explicitely run threads or other parallelism.
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- You do not have to explicitly run threads or other parallelism.
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- Allocating several nodes for one one big problem is not useful.
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- Note that shared memory among the cores works within node only.
- Browse: https://docs.xarray.dev/en/v2024.11.0/getting-started-guide/why-xarray.html or change to more applicabe version in drop-down menu to lower right.
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- Browse: https://docs.xarray.dev/en/v2024.11.0/getting-started-guide/why-xarray.html or change to more applicable version in drop-down menu to lower right.
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- find something interesting for you! Test some lines if you want to!
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.. admonition:: What is it?
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:class: dropdown
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- **High-performace data analytics (HPDA)**, a subset of high-performance computing which focuses on working with large data.
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- **High-performance data analytics (HPDA)**, a subset of high-performance computing which focuses on working with large data.
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- The data can come from either computer models and simulations or from experiments and observations, and the goal is to preprocess, analyse and visualise it to generate scientific results.
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.. important::
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- Allocate many cores or a full node!
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- You do not have to explicitely run threads or other parallelism.
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- You do not have to explicitly run threads or other parallelism.
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- Note that shared memory among the cores works within node only.
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ssh nid001057
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Use the conda env you created in Exercise 2 in `Use isolated environemnts<https://uppmax.github.io/HPC-python/day2/use_isolated_environments.html#exercises>`_
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Use the conda env you created in Exercise 2 in `Use isolated environments<https://uppmax.github.io/HPC-python/day2/use_isolated_environments.html#exercises>`_
Copy file name to clipboardExpand all lines: docs/day3/not_used/Seaborn-Intro.rst
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Heatmap and Clustermap
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^^^^^^^^^^^^^^^^^^^^^^
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Sometimes you have too many variables to look at with pairplots or corner plots, and the best you can do is map the correlation coeffcients between different parameters. Alternatively, you might have a DataFrame with a comparable number of numeric rows and columns, and you want to see how the rows and columns correlate. Either way, the DataFrame must be able to be coerced to ``ndarray``.
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Sometimes you have too many variables to look at with pairplots or corner plots, and the best you can do is map the correlation coefficients between different parameters. Alternatively, you might have a DataFrame with a comparable number of numeric rows and columns, and you want to see how the rows and columns correlate. Either way, the DataFrame must be able to be coerced to ``ndarray``.
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Once again, this type of plot is extremely tedious to make in pure Matplotlib, but in Seaborn, it can require as little as one line of code. There are two functions that do this: ``sb.heatmap()`` and ``sb.clustermap()``. The main difference between the two is that the latter attempts to rearrange variables such that those that are correlated are positioned next to each other on the plot, while the former simply lists the variables in the order they were given in the DataFrame.
Copy file name to clipboardExpand all lines: docs/day3/not_used/old-pandas.rst
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* A simple interface with the Seaborn plotting library, and increasingly also Matplotlib.
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* Easy multi-threading with Numba.
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**Limitations.** Pandas alone has somewhat limited support for parallelization, N-dimensional data structures, and datasets much larger than 3 GiB. Fortunately, there are packages like ``dask`` and ``polars`` that can help. In partcular, ``dask`` will be covered in a later lecture in this workshop. There is also the ``xarray`` package that provides many similar functions to Pandas for higher-dimensional data structures, but that is outside the scope of this workshop.
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**Limitations.** Pandas alone has somewhat limited support for parallelization, N-dimensional data structures, and datasets much larger than 3 GiB. Fortunately, there are packages like ``dask`` and ``polars`` that can help. In particular, ``dask`` will be covered in a later lecture in this workshop. There is also the ``xarray`` package that provides many similar functions to Pandas for higher-dimensional data structures, but that is outside the scope of this workshop.
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.. admonition:: Get today's tarball!
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ssh nid001057
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Use the conda env you created in Exercise 2 in `Use isolated environemnts<https://uppmax.github.io/HPC-python/day2/use_isolated_environments.html#exercises>`_
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Use the conda env you created in Exercise 2 in `Use isolated environments<https://uppmax.github.io/HPC-python/day2/use_isolated_environments.html#exercises>`_
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.. code-block:: console
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* ``.str.upper()``/``.lower()``
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* ``.str.<r>strip()``
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* ``.str.<r>split(' ', n=None, expand=False)`` can return outputs of several different shapes depending on ``expand`` (bool, whether to return split strings as lists in 1 column or substrings in multiple columns) and ``n`` (maximum number of columns to return).
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* Unlike for regular strings, ``df.str.replace()`` does not accept dict-type input where keys are existing substrings and values are replacements. For multiple simulataneous replacements via dictionary input, use ``df.replace()`` without the ``.str``.
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* Unlike for regular strings, ``df.str.replace()`` does not accept dict-type input where keys are existing substrings and values are replacements. For multiple simultaneous replacements via dictionary input, use ``df.replace()`` without the ``.str``.
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**Statistics.** Nearly all NumPy statistical functions and a few ``scipy.mstats`` functions can be called as aggregate methods of DataFrames, Series, any subsets thereof, or GroupBy objects. All of them ignore NaNs by default. For DataFrames and GroupBy objects, you must set ``numeric_only=True`` to exclude non-numeric data, and specify whether to aggregate along rows (``axis=0``) or columns (``axis=1``) .
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