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release: bump version 0.68.3
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doc/source/examples/extended_examples/hpc/requirements.txt

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ansys-api-mapdl==0.5.1
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ansys-api-platform-instancemanagement==1.0.0
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ansys-mapdl-core==0.68.2
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ansys-mapdl-core==0.68.3
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ansys-mapdl-reader==0.53.0
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ansys-math-core==0.1.3
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ansys-platform-instancemanagement==1.1.2

doc/source/user_guide/hpc.rst

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@@ -47,11 +47,11 @@ Descriptions follow of basic terms.
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- **Login node**: A type of node used only for login and job submission.
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No computation should be performed on it. It is sometimes referred to as
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*virtual desktop infrastructure* (VDI).
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- **Partition**: A logical grouping of nodes with similar characteristics (for
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example, CPU architecture and memory size).
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- **Job**: A task submitted to SLURM for execution.
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- **Queue**: A waiting area where jobs are held until resources become available.
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- **Scheduler**: The component responsible for deciding which job gets
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- **Partition**: A logical grouping of nodes with similar characteristics (for
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example, CPU architecture and memory size).
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- **Job**: A task submitted to SLURM for execution.
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- **Queue**: A waiting area where jobs are held until resources become available.
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- **Scheduler**: The component responsible for deciding which job gets
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executed and when and where it gets executed.
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**my_script.sh**
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.. code-block:: bash
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#!/bin/bash
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#SBATCH --job-name=myjob
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#SBATCH --nodes=1
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the batch script:
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.. code-block:: console
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user@machine:~$ srun my_script.sh
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If you prefer to submit a batch job, you can use the ``sbatch`` command:
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.. code-block:: console
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user@machine:~$ sbatch my_script.sh
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You can specify each job setting using the command line. For example:
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.. warning:: **Command line arguments versus in-file arguments**:
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Command line arguments do **NOT** overwrite the equivalent arguments
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written in the bash file. Hence, you must ensure that the argument that you
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written in the bash file. Hence, you must ensure that the argument that you
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want to pass using the command line is not already present in the bash file.
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.. code-block:: console
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user@machine:~$ which python3[TAB]
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python3 python3-intel64 python3.10-config python3.11 python3.12 python3.8 python3.8-intel64 python3.9-config
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python3-config python3.10 python3.10-intel64 python3.11-config python3.12-config python3.8-config python3.9
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python3 python3-intel64 python3.10-config python3.11 python3.12 python3.8 python3.8-intel64 python3.9-config
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python3-config python3.10 python3.10-intel64 python3.11-config python3.12-config python3.8-config python3.9
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$ which python3.10
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/usr/bin/python3.10
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@@ -204,7 +204,7 @@ To install PyMAPDL on the activated virtual environment, run the following comma
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user@machine:~$ source /home/user/.venv/bin/activate
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(.venv) user@machine:~$ pip install ansys-mapdl-core
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Collecting ansys-mapdl-core
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Downloading ansys_mapdl_core-0.68.2-py3-none-any.whl (26.9 MB)
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Downloading ansys_mapdl_core-0.68.3-py3-none-any.whl (26.9 MB)
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━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 26.9/26.9 MB 37.3 MB/s eta 0:00:00
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Collecting pexpect>=4.8.0
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Using cached pexpect-4.9.0-py2.py3-none-any.whl (63 kB)
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source /home/user/.venv/bin/activate
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python -c "from ansys.mapdl import core;print(f'PyMAPDL version {core.__version__} was successfully imported.')"
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then you can run that script using:
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then you can run that script using:
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.. code-block:: console
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@@ -240,7 +240,7 @@ On the console, you should see this output:
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.. code-block:: text
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Testing Python!
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PyMAPDL version 0.68.2 was successfully imported.
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PyMAPDL version 0.68.3 was successfully imported.
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If you see an error in the output, see :ref:`ref_hpc_troubleshooting`, especially
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:ref:`ref_python_venv_not_accesible`.
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- Optimize resource usage to minimize job wait times and maximize cluster efficiency.
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- Regularly monitor job queues and system resources to identify potential bottlenecks.
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- Follow naming conventions for batch scripts and job names to maintain organization.
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- Keep batch scripts and job submissions concise and well-documented
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- Keep batch scripts and job submissions concise and well-documented
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for reproducibility and troubleshooting.
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.. _ref_hpc_troubleshooting:
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Debugging jobs
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--------------
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- Use ``--output`` and ``--error`` directives in batch scripts to capture
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standard output and error messages.
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standard output and error messages.
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- Check SLURM logs for error messages and debugging information.
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Python virtual environment is not accessible
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--------------------------------------------
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If there is an error while testing the Python installation, it might mean
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If there is an error while testing the Python installation, it might mean
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that the Python environment is not accessible to the compute nodes.
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For example, in the following output, PyMAPDL could not be found, meaning that the script
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is not using the virtual environment (``/home/user/.venv``):
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https://stackoverflow.com/questions/64188693/problem-with-python-environment-and-slurm-srun-sbatch
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Many HPC infrastructures use environment managers to load and unload
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software packages using modules and environment variables.
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software packages using modules and environment variables.
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Hence, you might want to make sure that the correct module is loaded in your script.
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For information on two of the most common environment managers, see the
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`Modules documentation <modules_docs_>`_ and `Lmod documentation <lmod_docs_>`_.
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4. Install PyMAPDL:
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.. code-block:: console
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.. code-block:: console
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(.venv) user@machine:~$ python -m pip install ansys-mapdl-core
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pyproject.toml

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[project]
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# Check https://flit.readthedocs.io/en/latest/pyproject_toml.html for all available sections
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name = "ansys-mapdl-core"
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version = "0.68.2"
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version = "0.68.3"
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description = "A Python wrapper for Ansys MAPDL."
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readme = "README.md"
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requires-python = ">=3.9,<3.13" # Update also 'MINIMUM_PYTHON_VERSION' in src/ansys/mapdl/core/__init__.py

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