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ChASE v1.3.0. Major release.

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@nidode nidode released this 10 Mar 14:40
· 212 commits to master since this release
v1.3.0
16deae1

This release features a number of changes in the parallel implementation and the algorithm.

  • The QR factorization, which was previously done redundantly on each MPI process, is not parallelized on a 1D sub-grid of the 2D MPI cartesian grid.
  • As a consequence of the additional parallelization, the number and structure of the workspace buffers has changed greatly diminishing the memory footprint of the entire library
  • The use of the postApplication function has been substituted with the result that some of the communication is now hidden behind computation during the execution of the Rayleigh-Ritz kernel and the Residual kernel
  • The parallel HouseholderQR algorithm has been substituted with the CholeskyQR algorithm (and its more stable variants). A mechanism to avoid failure of this algorithm has been introduced based on numerical analysis results.
  • A new parallel random generator has been added to reduce the time spent initializing the computation, especially for large scale problems.
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