Comparative NAMD benchmarking on BlueGene/P

Series of benchmarking of 210K atoms of inverse micelle/oil/water system have been carried out on Bulgarian BlueGene/P at Bulgarian Supercomputing Centre and on computational resources of Armenian National Grid Initiative (ArmGrid). The experiments show that the linear increase of speed of calculati...

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Bibliographic Details
Published in2012 Proceedings of the 35th International Convention MIPRO pp. 319 - 321
Main Authors Poghosyan, A. H., Arsenyan, L. H., Astsatryan, H. V.
Format Conference Proceeding
LanguageEnglish
Published IEEE 01.05.2012
Subjects
Benchmark testing
Biological system modeling
Computational modeling
Electric breakdown
Physics
Program processors
Supercomputers
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Summary:Series of benchmarking of 210K atoms of inverse micelle/oil/water system have been carried out on Bulgarian BlueGene/P at Bulgarian Supercomputing Centre and on computational resources of Armenian National Grid Initiative (ArmGrid). The experiments show that the linear increase of speed of calculation with the increase of number of processors has been obtained. It should be noted that no saturation is observed and finally we received 0.121day/ns using 4096 processors of BlueGene/P, meanwhile the data within the ArmGrid infrastructures shows the breakdown in scaling, which is depends on communication time between processors.
ISBN:9781467325776
1467325775