Molecular dynamics programs simulate the behavior of biomolecular systems, leading to
understanding of their functions. However, the computational complexity of such simulations …

Parallel implementations of metaheuristics appear quite naturally as an effective alternative
to speed up the search for approximate solutions of combinatorial optimization problems …

A major factor slowing deployment of parallel programs is that efficient parallel programs are
difficult to write. Parallel programming adds a second dimension to programming: not just …

Growing evidence in the scientific computing community indicates that parallel file systems
are not sufficient for all HPC storage workloads. This realization has motivated extensive …

We present the execution model of Virtual Transport (VT) a new, Asynchronous Many-Task
(AMT) runtime system that provides unprecedented integration and interoperability with MPI …

We present an optimized parallelization scheme for molecular dynamics simulations of large
biomolecular systems, implemented in the production‐quality molecular dynamics program …

As a part of an ongoing effort to develop a “standard library” for scientific and engineering
parallel applications, we have developed a preliminary finite element framework. This …

Many important parallel applications require multiple flows of control to run on a single
processor. In this paper, we present a study of four flow-of-control mechanisms: processes …

PetaFLOPS-class computers, based on the current or foreseeable CMOS generation,
appear to be feasible in the near future. An emulator for a petaFLOPS-class programming …

Networks of workstations are a dominant force in the distributed computing arena, due
primarily to the excellent price/performance ratio of such systems when compared to …