Abstract
MIMD parallel computers can be a promising alternative in those cases where application software exploits only a small portion of the maximum performance of vector computers. We compare MIMD systems with other parallel architectures and stress transputer networks pointing out the benefits of this concept. Two different software environments are discussed, MultiTool, a modified transputer development system (TDS) and the distributed operating system Helios. Both are used to implement direct SCF programs on a transputer network. Parallel processing is defined according to the farming concept, both on the program and on the subroutine level. In transputer networks with up to 17 nodes, a very good load balance could be achieved, demonstrating the good suitability of the MIMD-concept for SCF calculations.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Saunders VR, Guest MF (1982) Comp Phys Comm 26: 389
Ahlrichs R, Bohm H-J, Ehrhardt C, Scharf P, Schiffer H, Lischka H, Schindler M (1985) J Comp Chem 6: 200
Kutzelnigg W, Schindler M, Klopper W, Koch S, Meier U, Wallmeier H (1986) In: Dupuis M (ed) Supercomputer simulations in chemistry. Springer, Berlin Heidelberg New York
Wedig U, Burkhardt A, von Schnering H-G (1989) Z Phys D 13: 377
Buell DA et al (1988) J Supercomputing 1: 301
INMOS Ltd (1987) The transputer family 1987. INMOS, Bristol
INMOS Ltd (1988) occam 2 reference manual. Prentice Hall, London
Hey AJG (1988) Comp Phys Comm 50: 23
Hey AJG (1989) Comp Phys Comm 56: 1
Glendinning I, Hey A (1987) Comp Phys Comm 45: 367
Transputer Development System (D700 D). INMOS, Bristol
MultiTool 5.0. parsytec, Aachen
Perihelion Software Ltd (1989) The helios operating system. Prentice Hall, London
Helios file system, version 1.1. parsytec, Aachen
Almlöf J, Faegri Jr. K, Korsell K (1982) J Comp Chem 3: 385
Almlöf J, Taylor PR (1984) In Dykstra CE (ed) Advanced theories and computational approaches to the electronic structure of molecules. Reidel, Dordrecht
Cremer D, Gauss J (1986) J Comp Chem 7: 274
Häser M, Ahlrichs R (1989) J Comp Chem 10: 104
Colvin ME (1986) Ph. D. thesis LBL-23578. Univ California, Berkeley
Dupuis M, Watts JD (1987) Theor Chim Acta 71: 91.
Guest MF, Harrison RJ, van Lenthe JH, van Corler LCH (1987) Theor Chim Acta 71: 117
Wedig U, Burkhardt A, von Schnering HG (1990) In: Grebe R (ed) Parallele Datenverarbeitung mit dem Transputer. Springer, Berlin Heidelberg New York
McMurchie LE, Davidson ER (1978) J Comp Phys 26: 218
McMurchie L, Elbert ST, Langhoff SR, Davidson ER et al; Program MELD. Univ Washington, Seattle
Bär M (1988) diploma thesis. Univ Karlsruhe
Obara S, Saika A (1986) J Chem Phys 84: 3963
Allan R (1989) Parallelogram 2: 21: 17
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1990 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Wedig, U., Burkhardt, A., v. Schnering, H.G. (1990). Quantum Chemical Calculations on MIMD Type Computers. In: Harms, U. (eds) Supercomputer and Chemistry. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-75917-8_5
Download citation
DOI: https://doi.org/10.1007/978-3-642-75917-8_5
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-52915-6
Online ISBN: 978-3-642-75917-8
eBook Packages: Springer Book Archive