CasidaDistributedMatrix

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CasidaDistributedMatrix

Section Linear Response::Casida
Type logical
Default false

Large matrices with more than a few thousand rows and columns usually do not fit into the memory of one processor anymore. With this option, the Casida matrix is distributed in block-cyclic fashion over all cores in the ParOther group. The diagonalization is done in parallel using ScaLAPACK or ELPA, if available. For very large matrices (>100000), only the ParOther strategy should be used because the diagonalization dominates the run time of the computation.


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