A parallel implementation of the computation of RHF energy second derivatives with respect to the nuclear coordinates is described. The algorithm and organization of the code are described in detail on the most computationally demanding steps with special emphasis on the integral transformation code
Numerical simulation of fluid dynamic problems on distributed memory parallel computers
β Scribed by Pirozzi, Maria A.
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 91 KB
- Volume
- 9
- Category
- Article
- ISSN
- 1040-3108
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β¦ Synopsis
This paper describes the parallel implementation of a numerical model for the simulation of problems from fluid dynamics on distributed memory multiprocessors. The basic procedure is to apply a fully explicit upwind finite difference approximation on a staggered grid. A theoretical time complexity analysis shows that a perfect speedup is achieved asympotically. Experimental results on the Intel Touchstone Delta System confirm the analytical performance model.
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