Lecture 1
Lecture 1
Architecture
CMSC828E
Ramani Duraiswami
4 cores
12
Accelerating Time to Discovery
4.6 Days
2.7 Days 3 Hours
8 Hours
30 Minutes
27 Minutes 16 Minutes
13 Minutes
Available MD software
NAMD / VMD (alpha
release)
HOOMD
ACE-MD
MD-GPU Source: Stone, Phillips, Hardy, Schulten
Ongoing work
LAMMPS
CHARMM
GROMACS
AMBER
Available MD software
NAMD / VMD (alpha
release)
HOOMD
ACE-MD Source: Ufimtsev, Martinez
Ongoing work
LAMMPS
CHARMM
Q-Chem
Gaussian
GAMESS
Source: Yasuda
15
Computational Fluid Dynamics (CFD)
Ongoing work
Navier-Stokes
Lattice Boltzman
3D Euler Solver
Weather and ocean
modeling
Source: Thibault, Senocak
FDTD Solvers
Acceleware
EM Photonics
CUDA Tutorial
Ongoing work
Maxwell equation solver
Ring Oscillator (FDTD)
Particle beam dynamics
simulator
17
Weather, Atmospheric, & Ocean
Modeling
CUDA-accelerated WRF available
Other kernels in WRF being
ported
Ongoing work
Tsunami modeling
Ocean modeling Source: Michalakes,
Vachharajani
Several CFD codes
Ongoing work
LIBOR Monte Carlo market model Source: CUDA SDK
19
Callable Swaps and Continuous Time