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GTC ON-DEMAND

Computational Biology & Chemistry
Presentation
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Advances in NAMD GPU Performance
Abstract:

Learn about recent performance improvements in the GPU acceleration of NAMD biomolecular modeling application. These improvements include performance gains in the non-bonded CUDA kernels and new GPU-only implementation of Particle Mesh Ewald (PME) reciprocal computation. We will describe in detail the changes made in the non-bonded CUDA kernels that give 1.4-1.7 times better performance compared to the previous version. We will describe the new PME reciprocal code that enables computation on multiple GPUs and gives performance that is between 1.4-1.8 times faster than the previous code.

 
Topics:
Computational Biology & Chemistry, Performance Optimization, HPC and Supercomputing
Type:
Talk
Event:
GTC Silicon Valley
Year:
2016
Session ID:
S6623
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