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GTC ON-DEMAND

Computational Biology & Chemistry
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ORNL Summit: Petascale Molecular Dynamics Simulations on the Summit POWER9/Volta Supercomputer
Abstract:
Learn the opportunities and pitfalls of running billion-atom science at scale on a next-generation pre-exascale GPU-accelerated supercomputer. The highly parallel molecular dynamics code NAMD has been long used on the GPU-accelerated Cray XK7 Blue Waters and ORNL Titan machines to perform petascale biomolecular simulations, including a 64-million-atom model of the HIV virus capsid. In 2007 NAMD was was one of the first codes to run on a GPU cluster, and it is now one of the first on the new ORNL Summit supercomputer, which features IBM POWER9 CPUs, NVIDIA Volta GPUs, and the NVLink CPU-GPU interconnect. This talk will cover the latest NAMD performance improvements and scaling results on Summit and other leading supercomputers.
 
Topics:
Computational Biology & Chemistry, HPC and Supercomputing
Type:
Talk
Event:
GTC Silicon Valley
Year:
2018
Session ID:
S8747
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