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  • Setting up diagonalization engine

Setting up diagonalization engine · Changes

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Update Setting up diagonalization engine authored May 20, 2021 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Setting-up-diagonalization-engine.md
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[[_TOC_]]
# ELPA Library
For static calculations, it is recommended to use [ELPA](https://elpa.mpcdf.mpg.de/) Library, which has better performance than ScaLapack. In particular, ELPA allows for the utilization of GPUs which provide a significant boost for calculations. In order to activate ELPA lib in [predefines.h](https://gitlab.fizyka.pw.edu.pl/gabrielw/wslda/-/tree/public/st-myproject-template/predefines.h) set:
For static calculations, it is recommended to use [ELPA](https://elpa.mpcdf.mpg.de/) Library, which has better performance than ScaLapack. In particular, ELPA allows for the utilization of GPUs which provide a significant boost for calculations. In order to activate ELPA lib in [predefines.h](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/tree/public/st-myproject-template/predefines.h) set:
```c
// select diagonalization routine
#define DIAGONALIZATION_ROUTINE ELPA
......
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