gromacs_ema
test gromacs on A40


gromacs_ema_1: 

	Processor: 2 x AMD EPYC 7543 32-Core (64 Cores), Motherboard: Dell 0590KW (2.7.3 BIOS), Memory: 256GB, Disk: 800GB PERC H345 Front, Graphics: NVIDIA A40 45GB

	OS: CentOS Stream 8, Kernel: 4.18.0-358.el8.x86_64 (x86_64), Display Driver: NVIDIA, Compiler: GCC 8.5.0 20210514 + CUDA 11.8, File-System: xfs, Screen Resolution: 1024x768


GROMACS 2022.1
Implementation: MPI CPU - Input: water_GMX50_bare
Ns Per Day > Higher Is Better
gromacs_ema_1 . 8.609 |========================================================


GROMACS 2022.1
Implementation: NVIDIA CUDA GPU - Input: water_GMX50_bare
Ns Per Day > Higher Is Better
gromacs_ema_1 . 14.21 |========================================================