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Case Study: Exxact GPU Cluster Accelerates Cancer Research at Notre Dame

Exxact Notre Dame Case Study

The University of Notre Dame was able to hasten cancer research for developing cancer vaccines with the addition of an Exxact AMBER Optimized GPU Solution. Notre Dame scientists closely collaborated with the Center for Research Computing, Exxact Corporation and AMBER GPU Development Lead, Dr. Ross Walker, to develop a solution fully optimized for AMBER featuring 40 NVIDIA Maxwell-based GPU accelerators in 10 Intel-based servers.

The Notre Dame team were previously using only central processing units to perform molecular dynamics simulations, which allowed them to simulate only about a nanosecond a day. After the implementation of the Exxact AMBER Optimized Cluster Solution, the research advanced at a factor of 1,000 times faster than its initial course.


From this case study, you will learn about:

  • The dramatic difference a GPU computational system can make with molecular dynamics cancer research
  • How Exxact engineers provided extensive support to integrate research, hardware, and testing to generate a specialized tailored solution
  • The process of developing new immunotherapetuics using AMBER Molecular Dynamics software and a GPU cluster

    Read the full case study here.