molecular-dynamics_230521
AMD Ryzen 7 5800X 8-Core testing with a MSI MAG X570 TOMAHAWK WIFI (MS-7C84) v1.0 (1.50 BIOS) and ASUS NVIDIA GeForce GTX 1050 Ti 4GB on Neon 20.04 via the Phoronix Test Suite.


molecular-dynamics_230521: 

	Processor: AMD Ryzen 7 5800X 8-Core @ 4.20GHz (8 Cores / 16 Threads), Motherboard: MSI MAG X570 TOMAHAWK WIFI (MS-7C84) v1.0 (1.50 BIOS), Chipset: AMD Starship/Matisse, Memory: 16GB, Disk: 1000GB Corsair MP400 + 3001GB My Book 1140 + 4001GB My Book 25EE, Graphics: ASUS NVIDIA GeForce GTX 1050 Ti 4GB, Audio: NVIDIA GP107GL HD Audio, Monitor: DELL S2721QS, Network: Realtek RTL8125 2.5GbE + Intel Wi-Fi 6 AX200

	OS: Neon 20.04, Kernel: 5.4.0-73-generic (x86_64), Desktop: KDE Plasma 5.21.5, Display Server: X Server 1.20.9, Display Driver: NVIDIA 460.73.01, OpenGL: 4.6.0, OpenCL: OpenCL 1.2 CUDA 11.2.162, Vulkan: 1.2.155, Compiler: GCC 9.3.0, File-System: ext4, Screen Resolution: 3840x2160


miniFE 2.2
Problem Size: Small
CG Mflops > Higher Is Better
molecular-dynamics_230521 . 4084.14 |==========================================


CloverLeaf
Lagrangian-Eulerian Hydrodynamics
Seconds < Lower Is Better
molecular-dynamics_230521 . 215.23 |===========================================


CP2K Molecular Dynamics 8.1
Input: Fayalite-FIST
Seconds < Lower Is Better
molecular-dynamics_230521 . 689.91 |===========================================


NAMD 2.14
ATPase Simulation - 327,506 Atoms
days/ns < Lower Is Better
molecular-dynamics_230521 . 1.75616 |==========================================


Dolfyn 0.527
Computational Fluid Dynamics
Seconds < Lower Is Better
molecular-dynamics_230521 . 14.28 |============================================


Pennant 1.0.1
Test: sedovbig
Hydro Cycle Time - Seconds < Lower Is Better
molecular-dynamics_230521 . 95.77 |============================================


Pennant 1.0.1
Test: leblancbig
Hydro Cycle Time - Seconds < Lower Is Better
molecular-dynamics_230521 . 68.56 |============================================


Xcompact3d Incompact3d 2021-03-11
Input: input.i3d 129 Cells Per Direction
Seconds < Lower Is Better
molecular-dynamics_230521 . 37.34 |============================================


Xcompact3d Incompact3d 2021-03-11
Input: input.i3d 193 Cells Per Direction
Seconds < Lower Is Better
molecular-dynamics_230521 . 147.01 |===========================================


OpenFOAM 8
Input: Motorbike 30M
Seconds < Lower Is Better
molecular-dynamics_230521 . 186.80 |===========================================


OpenFOAM 8
Input: Motorbike 60M
Seconds < Lower Is Better
molecular-dynamics_230521 . 1224.16 |==========================================


LAMMPS Molecular Dynamics Simulator 29Oct2020
Model: 20k Atoms
ns/day > Higher Is Better
molecular-dynamics_230521 . 7.688 |============================================


LAMMPS Molecular Dynamics Simulator 29Oct2020
Model: Rhodopsin Protein
ns/day > Higher Is Better
molecular-dynamics_230521 . 7.505 |============================================


GROMACS 2021.2
Implementation: MPI CPU - Input: water_GMX50_bare
Ns Per Day > Higher Is Better
molecular-dynamics_230521 . 0.893 |============================================