MD-kernel (EVE version)

Version's name: MD-kernel (EVE version) ; a version of the MD-kernel program.
Repository: [home] and version downloads: [.zip] [.tar.gz] [.tar.bz2] [.tar]

This version is a implementation of the Lennard Jones potential evaluation using EVE, a SIMD library.

Pre-requisites

To build an execute the program, you require a C++ compiler with std C++20 capability & with an OpenMP runtime, and an installation of the EVE SIMD library.

Building the kernel

Make sure to set the compiler option ‘-std=c++20’, as well as linking the EVE library in CXXFLAGS. In order to build the program you should execute the make program:

$> make

Executing the kernel

Please execute the binary as follows to set active thread count and affinity.

$> OMP_NUM_THREADS=xx OMP_SCHEDULE=xx OMP_PLACES=cores OMP_PROC_BIND=close ./md_cell