An Adaptive Load Balancing Method forParallel Molecular Dynamics Simulations

نویسندگان

  • Yuefan Deng
  • Ronald F. Peierls
  • Carlos Rivera
چکیده

We describe an adaptive method for achieving load balance in parallel computations simulating phenomena which are distributed over a spatially extended region, but are local in nature. We have tested the method on standard short-ranged parallel molecular dynamics calculations. The performance gain we observe confirms the value of the method for this type of calculation. We discuss possible generalizations of the method, for example, to higher dimensions. c © 2000 Academic Press

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Efficiency of Dynamic Load Balancing Based on Permanent Cells for Parallel Molecular Dynamics Simulation

This paper addresses a dynamic load balancing method of domain decomposition for 3-dimensional Molecular Dynamics on parallel computers. In order to reduce interprocessor communication overhead, we are introducing a concept of permanent cells to the dynamic load balancing method. Molecular Dynamics simulations on a parallel computer T3E prove that the proposed method using load balancing much i...

متن کامل

Adaptive dynamic load-balancing with irregular domain decomposition for particle simulations

We present a flexible and fully adaptive dynamic load-balancing scheme, which is designed for particle simulations of three-dimensional systems with short ranged interactions. The method is based on domain decomposition with nonorthogonal non-convex domains, which are constructed based on a local repartitioning of computational work between neighbouring processors. Domains are dynamically adjus...

متن کامل

An Adaptive Curvilinear-Coordinate Approach to Dynamic Load Balancing of Parallel Multiresolution Molecular Dynamics

We present a practical experience in adding a dynamic-load-balancing capability to an existing large parallel application multiresolution molecular dynamics (MRMD) which is based on uniform mesh decomposition. The new load-balancing scheme uses adaptive curvilinear ccordinates to represent partition boundaries. Workloads are partitioned with a uniform 3-dimensional mesh in the curvilinear coord...

متن کامل

Evaluation of a Dynamic Load-Balancing Molecular Dynamics Application using Automated HW/SW Architecture Generation

The application of reconfigurable computing technology to solve high performance computing problems has received increasing attention in recent years. N-body problems such as Molecular Dynamics simulations are common candidates for such studies. The ability to perform dynamic load-balancing offers the potential of improving performance, but the implementation of hardware architectures implement...

متن کامل

Nonlocal Flügge shell model for the axial buckling of single-walled Carbon nanotubes: An analytical approach

In this paper, the stability characteristics of single-walled carbon nanotubes (SWCNTs) under the action of axial load are investigated. To this end, a nonlocal Flügge shell model is developed to accommodate the small length scale effects. The analytical Rayleigh-Ritz method with beam functions is applied to the variational statement derived from the Flügge-type buckling equations. Molecular dy...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2000