Hi. For the following script, the LAMMPS version coming with Ubuntu 22.04 (namely, LAMMPS 29 Sep 2021 - Update 2) is more than two times faster than LAMMPS 17 April 2024. Why? For the latter, I compiled LAMMPS from source code with cmake. I also tried with pre-compiled binaries for Linux. The results were the same. I ran with one process and one thread in all runs. The CPU is Xeon E5-2680 v4. Thanks in advance.
# Lennard-Jones Argon
units metal
atom_style atomic
boundary p p p
lattice fcc 5.26
region box block 0 10 0 10 0 10
create_box 1 box
create_atoms 1 box
mass 1 39.948
velocity all create 100 87287
# LJ 12-6 potential
pair_style lj/cut 8.5
pair_coeff 1 1 0.0104 3.4
neighbor 0.3 bin
neigh_modify every 1 delay 0 check no
variable dt equal 0.002 # ps
variable t equal step*v_dt # ps
thermo 1
thermo_style custom v_t temp etotal
timestep ${dt}
fix rlx all nve #temp 100 100 0.1
fix nvt all temp/berendsen 100 100 0.02
run 500