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2019 GTC San Jose
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S9302 - Petascale Molecular Dynamics Simulations on the Summit POWER9/Volta Supercomputer

Session Speakers
Session Description

Learn about the opportunities and pitfalls of running billion-atom science at scale on ORNL's Summit, the world's fastest GPU-Accelerated supercomputer. We'll talk about the latest performance improvements and scaling results for NAMD, a highly parallel molecular dynamics code and one of the first codes to run on Summit. NAMD performs petascale biomolecular simulations — these have included 64 million-atom model of the HIV virus capsid — and previously ran on the GPU-Accelerated Cray XK7 Blue Waters and ORNL Titan machines. Summit features IBM POWER9 CPUs, NVIDIA Volta GPUs, and the NVLink CPU-GPU interconnect.


Additional Information
Supercomputing
Computational Biology/Chemistry, Supercomputing
Government / National Labs, Higher Education / Research
Intermediate technical
Talk
50 minutes
Session Schedule