𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Parallelising a molecular dynamics algorithm on a multi-processor workstation

✍ Scribed by Florian Müller-Plathe

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
874 KB
Volume
61
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.

✦ Synopsis

The Verlet neighbour-list algorithm is parallelised for a multi-processor Hewlett-Packard/Apollo DN10000 workstation. The implementation makes use of memory shared between the processors. It is a genuine master-slave approach by which most of the computational tasks are kept in the master process and the slaves are only called to do part of the nonbonded forces calculation. The implementation features elements of both fine-grain and coarse-grain parallelism. Apart from three calls to library routines, two of which are standard UNIX calls, and two machine-specific language extensions, the whole code is written in standard Fortran 77. Hence, it may be expected that this parallelisation concept can be transferred in parts or as a whole to other multi-processor shared-memory computers. The parallel code is routinely used in production work.

📜 SIMILAR VOLUMES

Molecular dynamics simulation on a netwo
Molecular dynamics simulation on a network of workstations using a machine-independent parallel programming language
✍ Mark A. Shifman; Andreas Windemuth; Klaus Schulten; Perry L. Miller 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 759 KB

Molecular dynamics simulations investigate local and global motion in molecules. Several parallel computing approaches have been taken to attack the most computationally expensive phase of molecular simulations, the evaluation of long range interactions. This paper reviews these approaches and devel

Design of a WSI scale parallel processor
Design of a WSI scale parallel processor for intelligent robot control based on a dynamic reconfiguration of multi-operand arithmetic units
✍ Yoshichika Fujioka; Nobuhiro Tomabechi 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 254 KB 👁 1 views

A restructurable (reconfigurable) parallel VLSI processor designed to minimize the operation delay time which can be generally used for various operations necessary for controlling an intelligent robot was proposed previously by the authors. This processor is constructed by connecting a number of pr