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S

Series in Microelectronics

edited by Wolfgang Fichtner
Qiuting Huang
Heinz Jäckel
Hans Melchior
George S. Moschytz
Gerhard Tröster

Vol. 106

Thomas Peter Gössi

Computing Platforms for

Parallel Molecular Dynamics

2000. X, 250 pages. € 49,90

ISBN 3-89649-628-X

Abstract:

Molecular Dynamics simulations are commonly very computational intensive and are therefore very time consuming, This demands a higher computing power, which requires an evaluation of a dedicated hardware to speed up MD simulations.

This thesis presents a new method for estimating the computing power of available hardware solutions. An investigation of ASICs, FPGAs, DSPs and MPUs has pointed out, that a cluster of standard workstations offers an efficient, flexible and fast solution for accelerating MD simulations. Performance measurements on the workstation cluster with different networks have shown, that the speed of the network has only a low impact on the runtimes of parallel MD simulations. Further a workstation cluster with 8 - 16 processors offers a good alternative for a parallel processor system as it achieves the same or even the higher performance.

Series in Microelectronics

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