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  • Setting up diagonalization engine

Setting up diagonalization engine · Changes

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Update Setting up diagonalization engine authored Feb 19, 2021 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Setting-up-diagonalization-engine.md
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......@@ -51,7 +51,8 @@ All tests correspond to the extraction of **all** eigenvectors.
| matrix size | p | q | mb | nb | prec. | routine | system | time [sec] | cost |
| ------------|---|---|----|----|--------|---------|--------|------------|------|
| **32,768 = 2x128^2** | 6 | 8 | 16 | 16 | real | ELPA (2-GPU) | Cygnus | **93** | **0.05 nh** |
| **32,768 = 2x128^2** | 6 | 8 | 16 | 16 | real | ELPA (2-GPU) | Cygnus | **93** | **0.052 nh** |
| **45,000 = 2x150^2** | 6 | 8 | 16 | 16 | real | ELPA (2-GPU) | Cygnus | **217** | **0.12 nh** |
| **65,536 = 2x32^3** | 24 | 28 | 8 | 8 | complex| ELPA (1-GPU) | Summit | **118** | **0.52 nh** |
| **128,000 = 2x40^3** | 20 | 20 | 32 | 32 | complex| ELPA (1-GPU) | Daint | **220** | **24.4 nh** |
| 128,000 | 54 | 64 | 32 | 32 | complex| ELPA (2-CPU) | Daint | 677 | 54.1 nh |
......
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  • API version
  • Automatic interpolations
  • Auxiliary tools
  • Browsing the code
  • Broyden algorithm
  • C and CUDA
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  • Checking correctness of settings
  • Chemical potentials control
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  • Computation domain
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  • Constraining densities and potentials
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