Draft: Rework of parallelization in TranSIESTA
This MR aims to rework the parallelization of TranSIESTA: over energy points and matrix blocks (eventually k-points?!)
Please detail what new feature MR adds, carefully complete the following list:
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Describe in details what this MR adds? (link to the issue by writing # here) -
Does the feature change default behaviour of fdf-flags? If so, please document these changes -
If new fdf-flags are added, please add thorough descriptions to the manual -
add a summary sentence in the ReleaseNotes.md file -
if this breaks compatibility, add mentions to the Docs/compatibility.tex
TODO:
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Solvers -
Full inversion w/o Bias -
Full inversion w/ Bias -
BTD w/o Bias -
BTDw/ Bias
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General -
Distributed memory for sparse matrices -
Documentation
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