Open access
Date
1998-03Type
- Report
ETH Bibliography
yes
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Abstract
In this report the work of the first 18 months of the Polyproject “Parallel Computing in Quantum and Classical Molecular Dynamical Simulation“ is summarized. The project is planned for a total dura tion of three years. Four labs of the ETH attend the project: IGC (Computational Chemistry Group, head of the project), IFE (Electronics Lab), TIK (Computer Engineering and Networks Lab) and IWR (Scientific Computing Lab). GROMOS (GROningen MOlecular Simulation package) is a computer simulation tool which is distributed and supported in various versions by the Computational Chemistry Group. The main goal of the project is to accelerate the simulation of molecules in liquids by a factor often. To achieve the goal dedicated hardware must be developed to speed-up the Gromos software. The main topics in this report are as follows: First we present profiling results of the Gromos program, per formed on different workstations and processors. Then we give an overview on existing hardware accelerators. New modelling techniques for the molecular dynamics algorithm are presented as well as models for different new parallel hardware solutions. With these models a design space exploration was performed using techniques such as system synthesis using Evolutionary Algorithms. Show more
Permanent link
https://doi.org/10.3929/ethz-a-004290118Publication status
publishedJournal / series
TIK ReportVolume
Publisher
ETH Zurich, Computer Engineering and Networks LaboratoryOrganisational unit
02640 - Inst. f. Technische Informatik und Komm. / Computer Eng. and Networks Lab.
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ETH Bibliography
yes
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