mir-group / phoebe

A high-performance framework for solving phonon and electron Boltzmann equations
https://mir-group.github.io/phoebe/
MIT License
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Switch manual tranpose of distributed matrix for ScaLAPACK pdtran #201

Closed jcoulter12 closed 1 year ago

jcoulter12 commented 1 year ago

Earlier, we were using a transpose of the distributed scattering matrix with an explicit/hand written call. This was super slow, and should have been implemented using the ScaLAPACK pdtran function.

This PR rectifies this for a serious speedup on the symmetrization of the matrix, which is (A+A^T)/2 and is necessary to get a good result from the relaxons solver.