KOKKOS package accelerate reaxff potential

LAMMPS LAMMPS Installation
1

Hi, everyone!
I’m using reaxff potential to study silica hydrolysis reaction and accelerate it by KOKKOS package.
My system has 8500 atoms.But when I use “mpirun -np 1 lmp_mpi -k on g 1 -sf kk -in input.lammps” command to run my script, it can only reach 0.25ns/day in my computer and I can’t find this progress in “nvidia-smi”, I wonder if this computation speed is normal?

Here is my computer CPU and GPU:
CPU: I7-10700
GPU: GTX 1660 SUPER

And my system data:
SiO2withH2O.data (1.1 MB)

THANK YOU in advance.

2

GPU acceleration in KOKKOS uses double precision floating-point math. You have a “consumer” GPU which have a deliberately crippled double precision floating point performance (about 1/10th of a “data center” GPU), and thus the possible acceleration will be limited.