ema_gromacs
test speed gromacs


ema_gromacs: 

	Processor: 64 x AMD EPYC-Milan (64 Cores), Motherboard: OpenStack Foundation Nova v25.0.2 (1.16.0-3.module_el8.7.0+1218+f626c2ff BIOS), Memory: 224GB, Disk: 200GB, 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, System Layer: KVM


GROMACS 2022.1
Implementation: MPI CPU - Input: water_GMX50_bare
Ns Per Day > Higher Is Better
ema_gromacs . 1.865 |==========================================================


GROMACS 2022.1
Implementation: NVIDIA CUDA GPU - Input: water_GMX50_bare
Ns Per Day > Higher Is Better
ema_gromacs . 11.40 |==========================================================