#LAMMPS
benchmark input:

https://raw.githubusercontent.com/lammps/lammps/develop/bench/POTENTIALS/data.reax
https://raw.githubusercontent.com/lammps/lammps/develop/bench/POTENTIALS/in.reaxc
https://raw.githubusercontent.com/lammps/lammps/develop/bench/POTENTIALS/ffield.reax

cpu info:

Architecture:        x86_64
CPU op-mode(s):      32-bit, 64-bit
Byte Order:          Little Endian
CPU(s):              56
On-line CPU(s) list: 0-55
Thread(s) per core:  1
Core(s) per socket:  14
Socket(s):           4
NUMA node(s):        4
Vendor ID:           GenuineIntel
CPU family:          6
Model:               85
Model name:          Intel(R) Xeon(R) Gold 6132 CPU @ 2.60GHz
Stepping:            4
CPU MHz:             1000.377
BogoMIPS:            5200.00
Virtualization:      VT-x
L1d cache:           32K
L1i cache:           32K
L2 cache:            1024K
L3 cache:            19712K
NUMA node0 CPU(s):   0-13
NUMA node1 CPU(s):   14-27
NUMA node2 CPU(s):   28-41
NUMA node3 CPU(s):   42-55

result:

Performance: 0.007 ns/day, 3309.910 hours/ns, 0.839 timesteps/s
99.8% CPU use with 2 MPI tasks x 1 OpenMP threads

Performance: 0.025 ns/day, 970.401 hours/ns, 2.863 timesteps/s
99.7% CPU use with 8 MPI tasks x 1 OpenMP threads

Performance: 0.043 ns/day, 552.680 hours/ns, 5.026 timesteps/s
99.7% CPU use with 16 MPI tasks x 1 OpenMP threads

Performance: 0.063 ns/day, 383.630 hours/ns, 7.241 timesteps/s
99.7% CPU use with 28 MPI tasks x 1 OpenMP threads

Performance: 0.073 ns/day, 329.549 hours/ns, 8.429 timesteps/s
99.6% CPU use with 32 MPI tasks x 1 OpenMP threads

Performance: 0.090 ns/day, 267.153 hours/ns, 10.398 timesteps/s
99.5% CPU use with 56 MPI tasks x 1 OpenMP threads