495 research outputs found
Parallel unstructured solvers for linear partial differential equations
This thesis presents the development of a parallel algorithm to solve symmetric
systems of linear equations and the computational implementation of a parallel
partial differential equations solver for unstructured meshes. The proposed
method, called distributive conjugate gradient - DCG, is based on a single-level
domain decomposition method and the conjugate gradient method to obtain a
highly scalable parallel algorithm.
An overview on methods for the discretization of domains and partial differential
equations is given. The partition and refinement of meshes is discussed and
the formulation of the weighted residual method for two- and three-dimensions
presented. Some of the methods to solve systems of linear equations are introduced,
highlighting the conjugate gradient method and domain decomposition
methods. A parallel unstructured PDE solver is proposed and its actual implementation
presented. Emphasis is given to the data partition adopted and the
scheme used for communication among adjacent subdomains is explained. A series
of experiments in processor scalability is also reported.
The derivation and parallelization of DCG are presented and the method validated
throughout numerical experiments. The method capabilities and limitations
were investigated by the solution of the Poisson equation with various source
terms. The experimental results obtained using the parallel solver developed as
part of this work show that the algorithm presented is accurate and highly scalable,
achieving roughly linear parallel speed-up in many of the cases tested
MOLNs: A cloud platform for interactive, reproducible and scalable spatial stochastic computational experiments in systems biology using PyURDME
Computational experiments using spatial stochastic simulations have led to
important new biological insights, but they require specialized tools, a
complex software stack, as well as large and scalable compute and data analysis
resources due to the large computational cost associated with Monte Carlo
computational workflows. The complexity of setting up and managing a
large-scale distributed computation environment to support productive and
reproducible modeling can be prohibitive for practitioners in systems biology.
This results in a barrier to the adoption of spatial stochastic simulation
tools, effectively limiting the type of biological questions addressed by
quantitative modeling. In this paper, we present PyURDME, a new, user-friendly
spatial modeling and simulation package, and MOLNs, a cloud computing appliance
for distributed simulation of stochastic reaction-diffusion models. MOLNs is
based on IPython and provides an interactive programming platform for
development of sharable and reproducible distributed parallel computational
experiments
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