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Tutorial Details: An Overview of AMBER 14 - Creating the World's Fastest Molecular Dynamics Software Package

Date: Tuesday, May 13, 2014, 11:00 am - 12:00 pm
Location: 575 Walter
Instructor(s):

This webinar will provide an overview of the AMBER Molecular Dynamics Software package with focus on what is new with regards to GPU acceleration in the recently released version 14. This includes details of peer-to-peer support and optimizations, which have resulted in version 14 being the fastest MD software package on commodity hardware. Benchmarks will be provided, along with recommended hardware choices. In addition, an overview of the new GPU centric features in AMBER 14 will be covered, including support for multi-dimensional replica exchange MD, hydrogen mass repartitioning, accelerated MD, Scaled MD, and support-as-a-service on Amazon Web Services. This is a joint webinar by Ross C. Walker, University of California San Diego, Scott Le Grand, Amazon Web Services, and Adrian Roitberg, University of Florida.

Level: Introductory
Prerequisites: