Hi, Axel,
Thank you very much for your reply. The LIGGGHTS version I am using is 2.3.8. I am running it on the cluster.
Following is the complete log. Can you please check it for me? Thank you a lot.
Chuchu
LIGGGHTS (Version LIGGGHTS-PUBLIC 2.3.8, compiled 2022-11-01-14:40:17 by bellc based on LAMMPS 20 Apr 2012)
Init
units si
dimension 3
boundary f f f
atom_style hybrid granular charge
#atom_style granular
neighbor 5e-8 bin
newton off
neigh_modify every 1
#processors 1 2 1
communicate single vel yes
neigh_modify delay 0
neigh_modify page 1000000 one 100000
Atom definition
read_data start.pos.dat
orthogonal box = (-0.00064493 -0.00064977 -0.0006) to (0.00064266 0.00064214 0.00092022)
1 by 1 by 1 MPI processor grid
114 atoms
114 velocities
mass 1 18.02
set type * density 1000
114 settings made for density
fix m1 all property/global youngsModulus peratomtype 70e9 70e9
fix m2 all property/global poissonsRatio peratomtype 0.31 0.31
fix m3 all property/global Gamman peratomtypepair 2 5.0e-9 5e-9 5e-9 5e-9
fix m4 all property/global coefficientFriction peratomtypepair 2 0.0 0.0 0.0 0.0
fix m6 all property/global cohesionEnergyDensity peratomtypepair 2 0.025 0.025 0.025 0.025
Settings
thermo_modify lost ignore
#pair_style gran/hertz/history2 cohesion sjkr
pair_style hybrid/overlay gran/hertz/history2 cohesion sjkr coul/cut 1e-4
pair_coeff * * gran/hertz/history2 #cohesion sjkr
pair_coeff * * coul/cut 1e-4
#pair_coeff * *
timestep 5e-11
fixes & compute
fix 2 all nve/sphere
######################
variable radius equal 50e-6 # Radius of the cylinder
group all_atoms type 1
114 atoms in group all_atoms
variable R equal radius # Replace with the desired value for the boundary radius
variable C equal 0.5 # Replace with your chosen reduction value between 0 and 1
variable K equal 1 # Replace <spring_constant> with your chosen spring constant
Compute DH and inOut per atom
variable DH atom “sqrt(x^2 + y^2)”
variable inOut atom “xvx + yvy”
variable eatom1 atom “(v_DH>50e-6)&&(v_inOut>0)”
group outwardatom variable eatom1
ERROR: Illegal group command (group.cpp:341)