Abstract:
Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsyst...Show MoreMetadata
Abstract:
Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsystems. These multicore processors offer greater computational power, but may be hindered by resource contention. In order to understand and avoid such situations, we investigate the impact of resource contention on three scalable molecular dynamics suites: AMBER (PMEMD module), LAMMPS, and NAMD. The results reveal the factors that can inhibit scaling and performance efficiency on emerging multicore processors.
Date of Conference: 14-18 April 2008
Date Added to IEEE Xplore: 03 June 2008
ISBN Information:
Print ISSN: 1530-2075
Keywords assist with retrieval of results and provide a means to discovering other relevant content. Learn more.
- IEEE Keywords
- Index Terms
- Molecular Dynamics ,
- Molecular Dynamics Simulations ,
- Large-scale Molecular Dynamics Simulations ,
- Processing Nodes ,
- Resource Contention ,
- Higher Frequency ,
- Van Der Waals Interactions ,
- Behavior Scale ,
- Large-scale Systems ,
- Particle Mesh Ewald ,
- Simulation Run ,
- Load Balancing ,
- Atomic System ,
- Limited Scale ,
- Explicit Solvent ,
- Starfish ,
- Clock Frequency ,
- Map Tasks ,
- Parallel Efficiency ,
- Data Cache ,
- Software Stack ,
- Workload Intensity ,
- Memory Bandwidth ,
- Total Atoms ,
- Scalable Framework ,
- AMD Opteron
Contents Keywords assist with retrieval of results and provide a means to discovering other relevant content. Learn more.
- IEEE Keywords
- Index Terms
- Molecular Dynamics ,
- Molecular Dynamics Simulations ,
- Large-scale Molecular Dynamics Simulations ,
- Processing Nodes ,
- Resource Contention ,
- Higher Frequency ,
- Van Der Waals Interactions ,
- Behavior Scale ,
- Large-scale Systems ,
- Particle Mesh Ewald ,
- Simulation Run ,
- Load Balancing ,
- Atomic System ,
- Limited Scale ,
- Explicit Solvent ,
- Starfish ,
- Clock Frequency ,
- Map Tasks ,
- Parallel Efficiency ,
- Data Cache ,
- Software Stack ,
- Workload Intensity ,
- Memory Bandwidth ,
- Total Atoms ,
- Scalable Framework ,
- AMD Opteron
