1. 1Managed by UT-Battelle for the U.S. Department of Energy Discussion questions from you 1.Do we care about exaflops machines? 2.How are we going to compare performance? Reference system? 3.How would you use an exaflop machine? 4.How would you analyze your results? 5.Who is willing to contribute time to mentor other MD+GPU coders?

2. 2Managed by UT-Battelle for the U.S. Department of Energy Community 1.How can our community better leverage each others’ work? 2.What about common libraries? OpenMM? 3.More workshops? Open-source code? Sharing of lessons- learned?

3. 3Managed by UT-Battelle for the U.S. Department of Energy Hardware 1.Would you rather have: a)A tightly-coupled exascale machine? b)10 exaflops available to you in the cloud? c)1 petaflops available to you in your very tightly-coupled desktop machine? 2.Which model will be the best for biomolecular simulations of the future? 3.How would you effectively utilize an exascale machine for biomolecular simulation (to do real science)?

4. 4Managed by UT-Battelle for the U.S. Department of Energy Software 1.What are the most important “tricks” that GPU+MD developers should know? 2.What will be the next disruptive technology change that will impact MD simulation?

5. 5Managed by UT-Battelle for the U.S. Department of Energy Programming languages John Levesque suggests that OpenMP will displace CUDA, OpenCL, and MPI-everywhere in the future. Do you agree? Why or why not? What is “wrong” with MPI between the nodes and OpenMP on the node?