The parallelisation of an iterative method for the resolution of an
eigenvalue problem is efficient on a shared memory computer
and on a distribued memory computer
The parallelisation of an iterative method for the
resolution of an eigenvalue problem is efficient on a shared memory
computer and on a distribued memory computer
Unité de Physico-Chimie et de Physique des Matériaux
Université Catholique de Louvain
Place Croix du Sud, 1 (Bat. BOLTZMANN)
The study of more and more complex systems, like electronic structures,
necessitates to solve numerically large eigenvalue problems.
Due to the large size of their matrix representation, the utilization of
traditionnal resolution methods are inadequate.
With the development of parallel computers and iterative methods,
some of these problems can be solved.
This study must be included into a large project, consisting in
parallelizing the DFT2000 code of total energy computation and must serve to
analyze the efficiency of the parallelization of iterative methods on
shared and distribued memory computers.
We use a modified block Davidson's iterative method and parallelize it
using the MPI (Message Passing Interface) Standard and Fortran 90.
The efficiency of parallelization on the two
computer architectures are presented.
© Copyright 2007-2012 Thomas Grosges.