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GTC ON-DEMAND

Molecular Dynamics
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Visualization and Analysis of Petascale Molecular Simulations with VMD
Abstract:
We present recent successes in the use of GPUs to accelerate challenging molecular visualization and analysis tasks on hardware platforms ranging from commodity desktop computers to the latest Cray XK7 supercomputers. This talk will focus on recent algorithm developments and the applicability and efficient use of new CUDA features on state-of-the-art Kepler GPUs. We will present the latest performance results for GPU accelerated trajectory analysis runs on Cray XK7 petascale systems and GPU-accelerated workstation platforms. We will conclude with a discussion of ongoing work and future opportunities for GPU acceleration, particularly as applied to the analysis of petascale simulations of large biomolecular complexes and long simulation timescales.
 
Topics:
Molecular Dynamics, Big Data Analytics, Scientific Visualization, HPC and Supercomputing
Type:
Talk
Event:
GTC Silicon Valley
Year:
2014
Session ID:
S4410
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