[petsc-users] Advise on choice of iterative solver
Klaus Zimmermann
klaus.zimmermann at physik.uni-freiburg.de
Wed Jun 8 07:34:45 CDT 2011
Hi Jed, Hi Matthew,
thanks for your quick responses!
On 06/08/2011 02:23 PM, Jed Brown wrote:
> On Wed, Jun 8, 2011 at 14:17, Matthew Knepley <knepley at gmail.com
> <mailto:knepley at gmail.com>> wrote:
>
> However, you might look at Elemental
> (http://code.google.com/p/elemental/) which solves the complex
> symmetric eigenproblem and is very scalable.
>
>
> Note that Elemental is for dense systems.
>
>
> To solve your problem, it's important to know where it came from. The
> average number of nonzeros per row doesn't tell us anything about it's
> mathematical structure which is needed to design a good solver.
We are doing quantum mechanical ab initio calculations. The Matrix stems
from a two particle Hamiltonian in a product basis. Thus we have basis
vectors S_{nm}. The sparseness is now due to the fact that the matrix
element <S_{nm}|H|S_{n'm'}> can only be non-zero if |n-n'|<4 and |m-m'|<4.
Does this help or do you need more information? Like the matrix
construction code?
Thanks,
Klaus
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