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  • Setting up calculations

Setting up calculations · Changes

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Update Setting up calculations authored Jan 14, 2022 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Setting-up-calculations.md
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......@@ -13,6 +13,9 @@ Folder with the project initially contains following files:
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.
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.
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).
6. [machine.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-project-template/machine.h) - here you define settings that are machine-dependent.
7. [env.sh](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/blob/public/st-project-template/env.sh) - list of systems variables that need to be set before the compilation. (*optionally*)
7. [README.md](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/blob/public/st-project-template/README.md) - further instructions to users that are provided by admin of a computing system. (*optionally*)
# Step 2: Setting up compilation predefines.
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.
......@@ -47,4 +50,4 @@ This step is strongly dependent on the target system. Most likely content of the
```bash
mpiexec-command resource-definition ./st-wslda-2d input.txt
```
See folder [job-scripts-templates](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/job-scripts-templates) for examples of submission scrips.
See folder [templates](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/templates) for examples of submission scrips.
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