Related papers: Poster on MPI application in Computational Fluid D…

This paper is an introduction to the modelling of viscoelastic fluids, with an emphasis on micro-macro (or multiscale) models. Some elements of mathematical and numerical analysis are provided. These notes closely follow the lectures…

This manuscript is the written form of three lectures delivered by David Chandler at the International School of Physics "Enrico Fermi", Course CLXXVI - "Complex materials in physics and biology", in Varenna, Italy in July 2010. It…

In this talk I discuss the general question of the portability of Molecular Dynamics codes for diffusive systems on parallel computers of the APE family. The intrinsic single precision arithmetics of the today available APE platforms does…

This system paper documents the technical foundations for the extension of the Topology ToolKit (TTK) to distributed-memory parallelism with the Message Passing Interface (MPI). While several recent papers introduced topology-based…

Hybrid MPI+threads programming is gaining prominence, but, in practice, applications perform slower with it compared to the MPI everywhere model. The most critical challenge to the parallel efficiency of MPI+threads applications is slow…

This paper contains background information for a fluid dynamics video submitted to the Gallery of Fluid Motion to be held along with the 63rd Annual Meeting of the American Physical Society's Division of Fluid Dynamics.

This paper summarizes state-of-the-art results on data series processing with the emphasis on parallel and distributed data series indexes that exploit the computational power of modern computing platforms. The paper comprises a summary of…

A new approach for integration of motion in many-body systems of interacting polyatomic molecules is proposed. It is based on splitting time propagation of pseudo-variables in a modified phase space, while the real translational and…

Application development for distributed computing "Grids" can benefit from tools that variously hide or enable application-level management of critical aspects of the heterogeneous environment. As part of an investigation of these issues,…

Message Passing Interface (MPI) has been a well-established technology in the domain of distributed high-performance computing for several decades. However, one of its greatest drawbacks is a rather ancient pure-C interface. It lacks many…

Matrix Distributed Processing (MDP) is a C++ library for fast development of efficient parallel algorithms. It constitues the core of FermiQCD. MDP enables programmers to focus on algorithms, while parallelization is dealt with…

Electron transmission through molecules and molecular interfaces has been a subject of intensive research due to recent interest in electron transfer phenomena underlying the operation of the scanning tunneling microscope (STM) on one hand,…

This paper outlines the benefits of computational steering for high performance computing applications. Lattice-Boltzmann mesoscale fluid simulations of binary and ternary amphiphilic fluids in two and three dimensions are used to…

Composability is one of seven reasons for the long-standing and continuing success of MPI. Extending MPI by composing its operations with user-level operations provides useful integration with the progress engine and completion notification…

Recently, the intrinsic sampling method has been developed in order to obtain, from molecular simulations, the intrinsic structure of the liquid-vapor interface that is presupposed in the classical capillary wave theory. Our purpose here is…

The advent of multi-/many-core processors in clusters advocates hybrid parallel programming, which combines Message Passing Interface (MPI) for inter-node parallelism with a shared memory model for on-node parallelism. Compared to the…

MP net is a formal model specifically designed for the field of parallel applications that use a message passing interface. The main idea is to use MP net as a comprehensible way of presenting the actual structure of communication within…

The MPI standard has long included one-sided communication abstractions through the MPI Remote Memory Access (RMA) interface. Unfortunately, the MPI RMA chapter in the 4.0 version of the MPI standard still contains both well-known and…

We report the results of intensive numerical calculations for four atomic H2+H2 energy transfer collision. A parallel computing technique based on LAM/MPI functions is used. In this algorithm, the data is distributed to the processors…

The aim of this paper is to develop an approach to visualizations that benefits from distributed computing. Three schemes of process distribution are considered: parallel, pipeline, and expanding pipeline computations. Expanding pipeline…