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introduce quick-start in documentation (#27)
* introduce quick-start in documentation * small edits in doc
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README.md

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## Introduction
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TSMP2 workflow engine for running simulations. The following examples and descriptions are based on a coupled climate simulation case over the EUR-11 domain, but the underlying idea applies to all types of simulations, such as LES, NWP, real and idealised cases. The workflow is applicable for any model combination within the TSMP2 framework realm.
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TSMP2 workflow engine for running simulations. The following examples and descriptions are based on a coupled climate simulation case over the EUR-12 domain, but the underlying idea applies to all types of simulations, such as LES, NWP, real and idealised cases. The workflow is applicable for any model combination within the TSMP2 framework realm.
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## Usage / Documentation

doc/_toc.yml

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- file: user_guide/usage_wfe/README
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title: Usage of TSMP2 WFE
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sections:
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- file: user_guide/usage_wfe/quick-start
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- file: user_guide/usage_wfe/setup
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- file: user_guide/usage_wfe/build
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- file: user_guide/usage_wfe/running
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# Introduction to TSMP2 WFE
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TSMP2 workflow engine for running simulations. The following examples and descriptions are based on a coupled climate simulation case over the EUR-11 domain, but the underlying idea applies to all types of simulations, such as LES, NWP, real and idealised cases. The workflow is applicable for any model combination within the TSMP2 framework realm.
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TSMP2 workflow engine for running simulations. The following examples and descriptions are based on a coupled climate simulation case over the EUR-12 domain, but the underlying idea applies to all types of simulations, such as LES, NWP, real and idealised cases. The workflow is applicable for any model combination within the TSMP2 framework realm.
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The following section will give you an overview of the workflow engine and its concept.

doc/user_guide/introduction_wfe/concept.md

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# WFE concept
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# WorkFlow Engine concept
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## Workflow Engine as the skeleton
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## Workflow Engine (WFE) as the skeleton
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The workflow engine functions as the skeletal framework that holds the entire system together. Much like a human skeleton provides structure and support for bodily functions, the workflow engine organizes and orchestrates the various components and configuration involved in prforming and anaylsing the simulation. It ensures that tasks, tools, and set-ups are not only available but interconnected in a coherent, reproduceable and maintainable structure. By providing this underlying architecture, the workflow engine enables a convenient and reproduceable way to perform simulations, making it central to the platform’s operation.
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## ... is not functional in itself
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# 0. Preamble
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The TSMP2 workflow engine (WFE) is designed to support a wide range of simulation applications. To facilitate immediate usability, it is distributed with a default test case that enables users to operate the WFE without requiring additional configuration or data. A specific configration is called simulation experiment. Please go to Setup, Build and Run for much more information.
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# 1. TSMP pan-european domain
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## 1.1 Description of the model experiment
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The numerical experiment covers a pan-European area, according to the EUR-12 CORDEX domain. [EURO-CORDEX](https://euro-cordex.net) is the European branch of the international CORDEX initiative, which is a program sponsored by the World Climate Research Program (WCRP) to organize an internationally coordinated framework to produce improved regional climate change projections for all land regions worldwide. The respective horizontal grid has a horizontal grid size of 0.11°(∼12 km).
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The experiment is carried out on 01 July 2017 using the fully coupled (ICON-eCLM-ParFlow) configuration of TSMP2.
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ICON is forced within ERA-5 [Hersbach et al.(2020)](https://doi.org/10.1002/qj.3803), the reanalysis of the European Centre for Medium-Range Weather Forecasts (ECMWF) in a hourly interval. The land surface composition for eCLM over the European CORDEX domain is based on the globecover data set [(Arino et al., 2012)](https://doi.pangaea.de/10.1594/PANGAEA.787668?utm_source=chatgpt.com), and the land use is transferred to plant functional types (PFT). The atmospheric component uses a constant lateral spatial resolution of about 12 km and a variable vertical discretization into 60 levels, gradually coarsening from the bottom (20 m) to the top (22000 m). ParFlow is set up with 30 vertical layers, resulting in a total depth of 60 m with increasing thickness toward the bottom. The thickness of the upper 20 layers is identical to the layers in eCLM, reaching a depth of 8.5 m. The time step for ParFlow and eCLM is hourly, while ICON runs with a 100-second time step. Coupling between the component models is applied at an 15 minutes frequency from ICON.
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In this section, we want to perform a 24-hour simulation using the fully coupled TSMP2 including ICON-eCLM-ParFlow coupled with the OASIS3-MCT coupler over the EURO-CORDEX domain with about 0.11° grid spacing. ICON is doing its calculations - as the name already suggests - on an icosahedral grid structure, whereas eCLM and ParFlow use a curvilinear grid. The TSMP2 system allows, similar to TSMP1, different grids between the components and uses resampling weights for the exchange of information between the components.
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## 1.2 TSMP Experiment setup
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First, open a terminal and let's prepare the environment for TSMP2 runs:
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```bash
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# Replace PROJECTNAME with your compute project
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jutil env activate -p PROJECTNAME
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# Check if $BUDGET_ACCOUNTS was set.
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echo $BUDGET_ACCOUNTS
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```
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# 2. Download the experiment setup
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Get the real test case files by running
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```bash
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cd $TRAINHOME
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git clone https://github.com/HPSCTerrSys/TSMP2_workflow-engine.git simexp_real_CORDEX-EUR-12-iic_icon-eclm-parflow
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export TSMP2_WFE=$(realpath simexp_real_CORDEX-EUR-12-iic_icon-eclm-parflow)
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```
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Next, download the namelists and static fields:
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```bash
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cd $TSMP2_WFE
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git submodule init
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git submodule update --init
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```
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Download the initial and forcing data for the simulation date:
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> :notepad_spiral: **NOTE**: This takes about 5minutes.
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```bash
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cd $TSMP2_WFE/dta
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wget -x -l 8 -nH --cut-dirs=4 -e robots=off --recursive --no-parent --reject="index.html*" https://datapub.fz-juelich.de/slts/tsmp_testcases/data/tsmp2_eur12-iic_wfe_iniforc/
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```
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## 2.1 Check the configuration files
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Have a look at the configuration files by running:
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```bash
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cd $TSMP2_WFE/ctl
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vim master.conf
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vim expid.conf
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```
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> :notepad_spiral: **NOTE**: Which model-combination is set?
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## 2.2. Check TSMP2 binaries
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In case that you have prebuilt TSMP2 model binaries, we are going to set the path to the shared `TSMP2` folder:
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```bash
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export TSMP2_DIR=/PATH/TO/TSMP2
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```
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Otherwise, you need to build the TSMP2 model binaries by doing
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```bash
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cd ${wfe_dir}/src/TSMP2
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./build_tsmp2.sh icon eclm parflow
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```
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# 3. Running the simulation
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First, we are going to set the path to the shared `TSMP2` folder that contains the prebuilt binaries:
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```bash
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export TSMP2_DIR=/PATH/TO/TSMP2
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```
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Then initiate the experiment by running:
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```bash
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cd $TSMP2_WFE/ctl
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sh control_tsmp2.sh
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```
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Check the status of your runs:
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```bash
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sacct
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```
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You can check the `$rundir` folder, in case the simulation is started:
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```bash
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ls -lrth $TSMP2_WFE/run/sim_iconeclmparflow_20170701
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```
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You can also continuously monitor the progress of the simulation by printing the log file:
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```bash
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# Check job status and job ID
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sacct
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# Replace <Job ID> with the one associated to your model run
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less +F $TSMP2_WFE/ctl/logs/*_<Job ID>.out
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```
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> :point_up_tone1: **TIP**: The `less` command above prints contents in real time. To exit, hit `CTRL+C` and then `q`.
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> :notepad_spiral: **NOTE**: the model log of ICON is written into `*.err`, while the model output of ParFlow and eCLM is written into `*.out`
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The end of the simulation will be marked by the printing of timing outputs from each component model. The simulation will take about 25 minutes to finish.
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When the simulation is finished, the logs, model output, model namelist, model binaries can be found in the simulation results (`simres`) directory:
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```bash
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cd $TSMP2_WFE/dta/simres/iconeclmparflow_20170701
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ls -l *
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```

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