GPU Programming for Molecular Modeling Workshop

Program

Location:
  • 3269 Beckman Institute and TCBG office areas

Tuesday, July 22:

8:30-9:00 AM Registration
9:00-10:00 AM Intro and Overview of GPU Computing in Molecular Modeling (John Stone)
10:00-11:00 AM GPU Particle-Particle Algorithms: Non-bonded Force Calculation (David Hardy)
Coffee Break  
11:20-12:20 PM TBAOptimizing CoMD: A Molecular Dynamics Proxy Application Study (Nikolai Sakharnykh)
12:20-12:30 PM Q & A; Group Picture
Lunch Break  
2:00-3:45 PM Participant Project Presentations and Group Discussion
Coffee Break  
4:05-5:50 PM Participant Project Presentations and Group Discussion
5:50-6:00 PM Evaluations; travel to workshop dinner
6:00-8:00 PM Working dinner @ restaurant

Wednesday, July 23:

9:00-9:45 AM Lattice Microbes: CUDA Algorithms for Stochastic Simulation of Biochemical Reactions (Mike Hallock / Joseph Peterson)
9:45-10:30 AM NAMD: GPU-Accelerated Petascale Molecular Dynamics Simulations on Titan and Blue Waters (Jim Phillips)
Coffee Break  
10:50-11:30 AM GPU Particle-Grid Algorithms: Molecular Surfaces and Synthetic Density Maps (John Stone)
11:30-12:00 PM Laboratory: GPU Programming Project Laboratory
Lunch Break  
1:30-3:30 PM Participant Project Presentations and Group Discussion
Coffee Break  
3:50-5:50 PM Participant Project Presentations and Group Discussion
5:50-6:00 PM Evaluations

Thursday, July 24:

9:00-10:40 AM Open Lab Time for Participant Projects
Coffee Break  
11:00-12:30 PM Open Lab Time for Participant Projects
Lunch Break  
1:30-3:00 PM Open Lab Time for Participant Projects
Coffee Break  
3:20-4:50 PM Open Lab Time for Participant Projects
4:50-5:00 PM Evaluations

 

Note: program subject to change.