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DynQual_Manual.md

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DynQual Manual

This file contains information for installing and running DynQual.

Installation Guide

DynQual can be installed following similar steps as for PCR-GLOBWB2 (https://github.com/UU-Hydro/PCR-GLOBWB_model)

  1. Clone or download the DynQual repository into the current working directory.

git clone https://github.com/UU-Hydro/DYNQUAL.git

  1. You will need a working Python environment, we recommend to install Miniconda, particularly for Python 3. Follow their instructions given at https://docs.conda.io/en/latest/miniconda.html. The user guide and short reference on conda can be found here.

  2. Install all modules required (e.g. PCRaster, netCDF4) for running DynQual by creating a conda environment using the following command (Note: make sure you navigating to the DYNQUAL folder before running this line. You only need to create the environment once and it will take ~10 minutes so be patient!):

conda env create --name pcrglobwb_python3 -f pcrglobwb_py3.yml

  1. Activate the environment in a command prompt (Note: you may first need to run the command conda init and restart your shell):

conda activate pcrglobwb_python3

DynQual configuration .ini file

For running DynQual, a configuration .ini file is required. In this file, you provide all the necessary information related to your run (e.g. time period, study extent, etc) and paths to your input data (e.g. climatological forcing, land cover, etc).

Some example configuration .ini files are provided in the 'ini' directory, both for DynQual runs that are one-way coupled to PCR-GLOBWB2 ("Online") and for runs using hydrological input as a forcing ("Offline"). We provide all the required input data and .ini files for the Rhine-Meuse basin which can be downloaded to your local machine (~6GB), facilitating a self-contained example run (https://doi.org/10.5281/zenodo.7027242). Input data for DynQual runs at the global extent are availiable on the OPeNDAP server (LINK) - allowing for users to run DynQual for any land area without needing to download the input files (which exceed 250 GB).

Some adjustments must be made:

  • inputDir = : this must be set to the directory where the input data is stored.
  • outputDir = : this must be set to a directory you can access.
  • cloneMap = : The cloneMap file defines the spatial resolution and extent of your study area and must be in the pcraster format. Please make sure this is stored locally in your computer. Some examples are given in this repository.

Other adjustments are optional (e.g.):

  • startTime = and endTime = : denote your simulation period.
  • precipitationNC = : denotes the location of your precipitation input data file, relative to inputDir.
  • outDailyTotNC = : denote which variables you to write to netcdf at daily resolution to outputDir/netcdf/.

Some DynQual specific adjustments can also be made (e.g.):

  • calculateLoads = : Set to TRUE for simulating pollutant loadings, FALSE for prescribing (pre-calculated) loadings. Note: TRUE is only avaliable for online DynQual runs.
  • loadsPerSector = : Set to TRUE for segregation of pollutant loadings per sector (i.e. for attribution), FALSE for combined loadings only. Note: TRUE is only avaliable for online DynQual runs.

When adjusting input data files in your .ini file, remember to check your units!

When adjusting which output data to report in your .ini file, remember to ensure you are only reporting simulated variables!

Running DynQual

Ensure the correct conda environment in a command prompt: conda activate pcrglobwb_python3

Navigate to the main DynQual model directory (DYNQUAL). You can start a DynQual run using the following commands:

For online run: python DynQualModel/deterministic_runner.py <ini_configuration_file>

For offline run: python DynQualModel/deterministic_runner_offline.py <ini_configuration_file>

where <ini_configuration_file> is your configuration file of DynQual.