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Civil-Comp Proceedings
ISSN 1759-3433
CCP: 57
DEVELOPMENTS IN COMPUTATIONAL MECHANICS WITH HIGH PERFORMANCE COMPUTING
Edited by: B.H.V. Topping
Paper III.8

The Parallel Prototype of the Reactive Transport of Solutes Code

I. Benet Llobera*, A. Medina Sierra**, C. Ayora+ and J. Carrera*

*Departament d'Enginyeria del Terreny, E.T.S.E.C.C.P.B., U.P.C., Barcelona, Spain
**Departament de Matematica Aplicada III, E.T.S.E.C.C.P.B., U.P.C., Barcelona, Spain
+Institut de Ciencies de la Terra, C.S.I.C., Barcelona, Spain

Full Bibliographic Reference for this paper
I. Benet Llobera, A. Medina Sierra, C. Ayora, J. Carrera, "The Parallel Prototype of the Reactive Transport of Solutes Code", in B.H.V. Topping, (Editor), "Developments in Computational Mechanics with High Performance Computing", Civil-Comp Press, Edinburgh, UK, pp 113-119, 1999. doi:10.4203/ccp.57.3.8
Abstract
RETRASO is a code capable to simulate REactive TRAnsport of SOlutes. The code solves the reactive transport problem by substituting the chemical equations into a source/sink term of the transport equation leading to a system of nonlinear partial differential equations.

A parallel version of RETRASO has been developed to reduce the simulation time using a SPMD (Single Program Multiple Data) with message passing communication for distributed memory architecture. As a result of the CPU profiling analysis, parallelisation was focused on the following most consuming CPU time (more than 90%) parts: 1) the building of the Jacobian matrix of the Newton- Raphson linear system with a specific algorithm that minimises the communication needs, and 2) solving the system itself by a linear solver module developed at CEPBA (European Centre for Parallelism of Barcelona, UPC).

The performance of the parallelised version of RETRASO was checked in a SGI ORIGIN 2000 machine with a PVM version based on sockets.

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