Automatic Differentiation of a Parallel Molecular Dynamics Application

Download or read book Automatic Differentiation of a Parallel Molecular Dynamics Application written by and published by . This book was released on 1996 with total page 7 pages. Available in PDF, EPUB and Kindle. Book excerpt: The ADIC and ADIFOR automatic differentiation tools have proven useful for obtaining the derivatives needed in many scientific applications written in Fortran 77 or ANSI C. But many new scientific programs are written for or ported to parallel platforms to achieve maximal performance. The authors provide an overview of the approach to the complex task of applying automatic differentiation techniques to parallel programming environments, especially as applied to a parallel molecular dynamics application written in C++ with PVM message passing.