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IJHPCA
2008
131views more  IJHPCA 2008»
13 years 4 months ago
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
IPPS
2007
IEEE
13 years 11 months ago
Tera-scalable Fourier Spectral Element Code for DNS of Channel Turbulent Flow at High Reynolds Number
Due to the extensive requirement of memory and speed for direct numerical simulation (DNS) of channel turbulence, people can only perform DNS at moderate Reynolds number before. W...
Jin Xu
APCSAC
2007
IEEE
13 years 11 months ago
Open Issues in MPI Implementation
MPI (the Message Passing Interface) continues to be the dominant programming model for parallel machines of all sizes, from small Linux clusters to the largest parallel supercomput...
Rajeev Thakur, William Gropp
SP
2008
IEEE
122views Security Privacy» more  SP 2008»
13 years 4 months ago
Large-scale phylogenetic analysis on current HPC architectures
Abstract. Phylogenetic inference is considered a grand challenge in Bioinformatics due to its immense computational requirements. The increasing popularity and availability of larg...
Michael Ott, Jaroslaw Zola, Srinivas Aluru, Andrew...
IPPS
2008
IEEE
13 years 11 months ago
Overcoming scaling challenges in biomolecular simulations across multiple platforms
NAMD† is a portable parallel application for biomolecular simulations. NAMD pioneered the use of hybrid spatial and force decomposition, a technique now used by most scalable pr...
Abhinav Bhatele, Sameer Kumar, Chao Mei, James C. ...