[petsc-dev] exascale applications and PETSc usefulness

Jed Brown jed at jedbrown.org
Wed Sep 7 20:09:18 CDT 2016


Jeff Hammond <jeff.science at gmail.com> writes:

> QMCPACK doesn't use any linear algebra solvers.
>
> NWChemEx will likely focus on dense solvers or sparse collections of dense
> blocks.  If NWChemEx uses sparse matrices, the dominant operation will be
> sparse matrix times sparse matrix multiplication and sparse matrix
> diagonalization.

Computing all eigenvalues or just some?  How are the eigenvectors stored?
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