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Molecular Simulation Volume 13, 1994 - Issue 3
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Original Articles

Monte Carlo Implementation on the Connection Machine 2; Water in Graphite Pores

Dima E. Ulberg School of Chemical Engineering, Cornell University, Ithaca, NY, 14853, USA
&
Keith E. Gubbins School of Chemical Engineering, Cornell University, Ithaca, NY, 14853, USA
Pages 205-219 | Received 01 Aug 1993, Accepted 01 Jan 1994, Published online: 23 Sep 2006
 
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Abstract

The implementation of Monte Carlo (Canonical and Grand Canonical Ensembles) codes on the Single Instruction Multi Data parallel supercomputer Connection Machine 2 are discussed and demonstrated. The program was developed for the simulation of water behavior in slit graphite pores in CM FORTRAN. A one dimensional data layout is the most suitable for MC realization on the CM-2. The code performance is compared with the performance of sequential and parallel codes on other computers. Preliminary results of the simulations are reported.

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Related Research Data

On the solvation force of water-like fluid models with square-well attraction and site–site association in slit-like pores: density functional approach
Source: Informa UK Limited
Adsorption and phase behavior of water-like fluid models with square-well attraction and site-site association in slit-like pores: Density functional approach.
Source: AIP Publishing

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