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Rewrite of the General Estuarine Transport Model (GETM) in Python (mostly) and Fortran (performance-critical sections)

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BoldingBruggeman/getm-rewrite

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pygetm

This is a rewrite of the General Estuarine Transport Model (GETM). It is mostly written in Python; only performance-critical sections of the code are implemented in Fortran.

Installing

You will need Anaconda. On many systems that is already installed: try running conda --version. If that fails, you may need to load an anaconda module first: try module load anaconda or module load anaconda3. If that still does not give you a working conda command, you may want to install Miniconda.

Before using conda for the very first time, you will need to initialize its environment:

conda init bash

If you are using a different shell than bash, replace bash with the name of your shell (see conda init -h for supported ones), or use conda init --all.

This needs to be done just once, as it modifies your .bashrc that is sourced every time you login. After this, restart your shell by logging out and back in.

Installation with conda (currently Linux/Windows only)

To install or update pygetm:

conda install pygetm -c bolding-bruggeman -c conda-forge

Manual build and install

If you need a customized version of pygetm, for instance, built with specific compiler options, or with specific biogeochemical models that are not part of the standard FABM distribution, you can manually obtain the pygetm source code, build it, and then install it.

Linux/Mac

To obtain the repository with setups and scripts, set up your conda environment, and build and install pygetm:

git clone --recursive https://github.com/BoldingBruggeman/getm-rewrite.git
cd getm-rewrite
conda env create -f environment.yml
conda activate pygetm
source ./install

If you are using a different shell than bash, you may need to replace source in the last line by bash. If you are installing on an HPC system that already has a Fortran compiler and MPI libraries that you would like to use, replace environment.yml with environment-min.yml in the above.

You can customize the build step as follows:

  • To set the Fortran compiler, set environment variable FC to your desired Fortran compiler executable. For instance, in a bash shell: export FC=ifort. This can be done in your terminal before running the install script, or by adding it to the install script itself.
  • To set compilation flags, set environment variable FFLAGS to your desired flags. For instance, in a bash shell: export FFLAGS=-fcheck=all. This can be done in your terminal before running the install script, or by adding it to the install script itself.
  • To set cmake options used to compile FABM, such as -DFABM_EXTRA_INSTITUTES or -DFABM_<INSTITUTE>_BASE, add cmake_opts=<CMAKE_OPTIONS> to python/setup.cfg

Windows

As on other platforms, you need Anaconda or Miniconda. In addition, you need to ensure that software to obtain and build Fortran code is available. Therefore, install:

Now obtain the repository with setups and scripts, set up your conda environment, and build and install pygetm:

git clone --recursive https://github.com/BoldingBruggeman/getm-rewrite.git
cd getm-rewrite
conda env create -f environment-min.yml
conda activate pygetm
install.bat

Staying up to date

To update this repository including its submodules (GOTM, FABM, etc.), make sure you are in the getm-rewrite directory and execute:

git pull
git submodule update --init --recursive
conda env update -f <ENVIRONMENT_YML>
conda activate pygetm
source ./install

In the above, replace <ENVIRONMENT_YML> with the name of the environment file you used previously: environment.yml for stand-alone conda environments, or environment-min.yml for a setup that uses the local MPI implementation and Fortran compiler.

Using pygetm

You should always activate the correct Python environment before you use the model with conda activate pygetm. This needs to be done any time you start a new shell.

Jupyter Notebooks

The best place to start is the python/examples directory with Jupyter Notebooks that demonstrate the functionality of the model:

cd python/examples
python -m jupyterlab

Simulations

Some of the original GETM test cases have been ported to pygetm:

To run a simulation:

python <RUNSCRIPT.py> [OPTIONS]

To run in parallel:

mpiexec -n <NCPUS> python <RUNSCRIPT.py> [OPTIONS]

Contributing

How to contribute to the development:

  1. Make a fork of the repository under your private GitHub account(*)
  2. Commit your changes to your forked repository
  3. Make a pull request

Note that all communication in relation to development of GETM is done via GitHub using issues.

(*) If you use a service other than GitHub for your daily work - please have a look here

https://yarchive.net/comp/linux/collective_work_copyright.html