I’m diving into Lammps for the first time, and despite completing the installation process, I’ve encountered hurdles while testing various input scripts. Unfortunately, every code I run triggers that error message, despite seeking assistance from ChatGPT, which supposedly debugged the code the error still pops off. I’m grateful for any help you can provide
# LAMMPS input script for simulating argon atoms with time integration
# Initialize simulation
units lj
dimension 3
boundary p p p
atom_style atomic
# Define system and atoms
lattice fcc 0.8442
region box block 0 10 0 10 0 10
create_box 1 box
create_atoms 1 box
mass 1 39.948 # Atomic mass of Argon
# Set Lennard-Jones potential
pair_style lj/cut 2.5
pair_coeff 1 1 0.0103 3.405 # epsilon (energy), sigma (distance)
# Specify initial conditions
velocity all create 1.0 87287 loop geom
# Time integration fix (Velocity Verlet)
fix 1 all nve
# Run simulation
timestep 0.005
thermo_style custom step temp pe
thermo 100
run 1000