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This instruction assumes that the Toolkit was already installed, and `$WSLDA` system variable is exported. If not follow instructions from [here](Installing the toolkit).
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[[_TOC_]]
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# Step 1: Creating your project folder
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W-SLDA codes execute calculations in specifically prepared folders for this, called *project folders*. In order to create a new *project folder* you need to make copy of the template folder. For example to create new project for static calculations (of name `st-mycalcs`) execute command:
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W-SLDA codes execute calculations in specifically prepared folders for this, called *project folders*. In order to create a new *project folder* you need to make a copy of the template folder. For example to create new project for static calculations (of name `st-mycalcs`) execute the command:
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```bash
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cp -r $WSLDA/st-project-template st-mycalcs
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```
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Folder with project initially contains following files:
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1. [Makefile](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/Makefile) - user must modify this file to be compatible with target system (for more see *Step 2*).
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2. [input.txt](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/input.txt) - template of input file for W-SLDA codes, must be modified by the user.
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Folder with the project initially contains following files:
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1. [Makefile](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/Makefile)
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2. [input.txt](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/input.txt) - template of the input file for W-SLDA codes, must be modified by the user.
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3. [predefines.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/predefines.h) - here you set compilation parameters of the code.
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4. [problem-definition.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/problem-definition.h) - here you specify your physical problem you want to solve. This is the most important file from user's perspective.
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4. [problem-definition.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/problem-definition.h) - here you specify the physical problem you want to solve. This is the most important file from the user's perspective.
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5. [logger.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/logger.h) - here you customize what information should be printed to *wlog* file (text file).
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# Step 2: Updating Makefile (if not provided by admin)
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[Makefile](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/Makefile) must be edited in order to be compatible with your target system. You can use one of existing [templates for Makefiles](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/Makefiles-templates) in order to speed up this process. For example, if your target system is `Piz Daint` then you can simply copy appropriate file:
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```bash
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cp ../Makefiles-templates/Makefile.st.daint ./Makefile
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```
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Note that typically you need to set correctly environment before compilation. If you use [templates for Makefiles](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/Makefiles-templates), in the header of Makefile you will find information about modules that needs to be loaded.
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# Step 3: Setting up compilation predefines.
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Before compilation you need to edit [predefines.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/predefines.h) file and set correctly hpc-engine compilation parameters. Specifically, at this stage you need to specify size of computational lattice.
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# Step 2: Setting up compilation predefines.
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Before compilation, you need to edit [predefines.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/predefines.h) file and set correctly hpc-engine compilation parameters. Specifically, at this stage, you need to specify the size of the computational lattice.
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# Step 4: Compiling initial version of the code
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# Step 3: Compiling the initial version of the code
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Execute
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```bash
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# optionally load before modules, e.g
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# source env.sh
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make
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```
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to compile W-SLDA codes. Note `make` command will compile all available versions of the code, see [here](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Types-of-codes) for more info. In order to compile only selected version of the code use:
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to compile W-SLDA codes. Note `make` command will compile all available versions of the code, see [here](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Types-of-codes) for more info. In order to compile only a selected version of the code use:
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```bash
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make 3d # to create 3D version of the code only
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make 2d # to create 2D version of the code only
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| ... | ... | @@ -35,15 +35,15 @@ In order to remove files generated by compilation command use: |
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```bash
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make clean
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```
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# Step 5: Define your problem
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# Step 4: Define your problem
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You need to edit [problem-definition.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/problem-definition.h) in order to define your problem. Update also [logger.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/logger.h) file if you need to report more refined quantities than only basic statistics (particle number, energy, etc.).
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**Remember** to recompile the code after each modification of [problem-definition.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/problem-definition.h), [logger.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/logger.h), and [predefines.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/predefines.h).
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# Step 6: Edit input file
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Prepare [input.txt](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/input.txt) file for computation. Meaning of each tag is provided in comments.
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# Step 5: Edit input file
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Prepare [input.txt](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/input.txt) file for computation. The meaning of each tag is provided in the comments.
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# Step 7: Execute code
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This step is strongly dependent on the target system. General structure of execution command is (example for `st-wslda-2d` code):
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# Step 6: Execute code
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This step is strongly dependent on the target system. Most likely content of the submission script will be provided by the admin. General structure of execution command is (example for `st-wslda-2d` code):
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```bash
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mpiexec-command resource-definition ./st-wslda-2d input.txt
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```
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