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SC²S Colloquium - July 31, 2012

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Date: July 31, 2012
Room: 02.07.023
Time: 3 pm, s.t.


Adrián Sepúlveda: Implementation and evaluation of memory-efficient storage schemes and performance optimizations based on direct and interpolated table lookup

The use of memory efficient schemes are foreseen to be implemented in large scale simulations, where memory storage could be an issue. A position truncation resolution from 64 bit to 30 and 20 bits was contemplated to achieve a position storage reduction by a factor of roughly 2 or 3 accordingly. Table lookup schemes trade-off recurrent potential calculations as well as precision for memory storage and speed. Choosing an adequate size will avoid the simulation's performance to be memory bound, aspiring for a simulation speed up. In this case the Lennard-Jones potential, a simple but widely used potential, was used as the baseline to determine the speed up.