Parallelisation of algorithms for ab initio computation of material properties
Loading...
Date
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
Description
Parallel algorithms for ab initio calculations of vibrations modes of solids are presented and implemented under PVM. Load balancing and communication problems are dealt with in order to increase parallelism efficiency. For accurate time measurements, synchronisation of processes must be achieved. The results obtained by working with 1,2,4 and 8 processors of a Convex MetaSeries computer are presented, showing a very good efficiency. Further parallelisation of the codes (involving a three-dimensional Fast Fourier Transform) with compiler directives on a Convex Exemplar, is discussed.
Published in the Proceedings of the 7th European Convex Users' Conference (ECUC '95), 17 pages (figures included)
Published in the Proceedings of the 7th European Convex Users' Conference (ECUC '95), 17 pages (figures included)