Block I logo
University of Illinois Urbana-Champaign
The Grainger College of Engineering
Parallel Programming Laboratory
Search
Menu
Search
Home
Research
Research
Libraries and Algorithms
Fine-grained Graph Algorithms
Parallel Algorithms and Applications
Reusable Libraries Software Engineering for Parallel Computing
Dense LU Factorization
Frameworks
AMR - Adaptive Mesh Refinement Framework
ParFUM - Parallel Framework for Unstructured Meshing
Parallel State Space Search Engine
Parallel Discrete Event Simulation
FEM - Finite Element Framework
Parallel Languages/Paradigms
Dagger and Structured Dagger
Charm++
AMPI - Adaptive Message Passing Interface
Automatic Communication Optimizations
MSA - Multiphase Shared Arrays Library in Charm++
Charj: Compiler Support for Productive Parallel Programming
OpenMP
Charm4py
Scientific Applications
ChaNGa - Computational Cosmology and N-Body Codes
NAMD - Molecular Dynamics
Parallel Operations Research
Other Applications
EpiSimdemics
OpenAtom - Ab Initio Molecular Dynamics
XPACC - The Center for Exascale Simulation of Plasma-Coupled Combustion
CEESD - The Center for Exascale-enabled Scramjet Design
Grid, Clusters, and Clouds
Faucets - Shared Computing Power
High Performance Computing in the Cloud
Runtime Systems and Tools
Dynamic Scripting for Parallel Applications
Parallel Debugging
BigNetSim - Parallel InterConnection Network Simulation
Dynamic Load Balancing
BlueWaters - Sustained Petascale Computing
Fault Tolerance Support
Parallel Performance Analysis, Visualization and Optimization
BigSim - Simulating PetaFLOPS Supercomputers
Heterogeneous Computing
Topology Aware Mapping
Power and Energy Efficiency
Interoperability
Performance-analysis-based Introspective Control System to Tune Applications and Runtime
Older Projects
Particles Framework
Multiblock Framework
Automatic Out of Core Execution Support
The Master-Slave Paradigm
Charisma++ - Orchestrating Parallel Objects
Standard Libraries for Parallel Programming
Cluster Computing at PPL
Papers
Software
Software
Charm++
Projections
Charm Debug
Charm License
Docs
People
People
Careers
Past Members
Home
Papers
Parallel Science and Engineering Applications: The Charm++ Approach: Chapter 4: Scalable Molecular Dynamics with NAMD
Parallel Science and Engineering Applications: The Charm++ Approach: Chapter 4: Scalable Molecular Dynamics with NAMD
James Phillips
Klaus Schulten
Abhinav Bhatele
Chao Mei
Yanhua Sun
Eric Bohm
Laxmikant Vasudeo Kale
Book (Book) 2013
Pulication Type: Paper
Download:
pdf
ps
Abstract
Research Areas
Charm++
NAMD - Molecular Dynamics
Text Ref
BibTex