SIMTization for Force Calculation of Lennard-Jones Potential

This project is forked from lj_simd

Usage

NVIDIA GPU (CUDA implementations)

$ cd cuda
$ make

NVIDIA GPU (OpenACC implementations)

$ cd openacc
$ make

AMD GPU (OpenCL implementations)

$ cd opencl
$ make

Performance comparison of OpenACC with CUDA

• OpenACC (tuned)
  • The optimal Verlet list data layout for GPUs is used.
• OpenACC (naive)
  • pragma directives are simply added to original CPU source codes.

@ Xeon E5-2680 v3

• icpc version 18.0.0 20170811

implementation	time [s]
Reference	1.431335
AVX2 SIMD	0.877171

@ Tesla K40t

• CUDA version 7.5
• PGI compiler version 16.10

implementation	time [s]
CUDA	0.049346
OpenACC (tuned)	0.168751
OpenACC (naive)	0.305789

@ Tesla P100

• CUDA version 8.0
• PGI compiler version 17.1

implementation	time [s]
CUDA	0.017529
OpenACC (tuned)	0.027165
OpenACC (naive)	0.092830