184 lines
5.4 KiB
Groff
184 lines
5.4 KiB
Groff
LAMMPS (19 Nov 2024 - Development - )
|
|
# Example problem demonstrating the use of synchronized_verlet
|
|
# Refer https://doi.org/10.1016/j.cpc.2025.109524 for further details
|
|
|
|
units si
|
|
atom_style sphere
|
|
newton off
|
|
|
|
boundary p p f
|
|
read_data 3ps.dat
|
|
Reading data file ...
|
|
orthogonal box = (-0.03 -0.02 -0.02) to (0.03 0.02 0.02)
|
|
1 by 1 by 1 MPI processor grid
|
|
reading atoms ...
|
|
3 atoms
|
|
reading velocities ...
|
|
3 velocities
|
|
read_data CPU = 0.000 seconds
|
|
|
|
group ps type 1
|
|
2 atoms in group ps
|
|
group fine type 2
|
|
1 atoms in group fine
|
|
|
|
pair_style granular
|
|
pair_coeff * * hooke 1e4 0.5 tangential linear_history 8235 0 0.5 damping coeff_restitution #synchronized_verlet
|
|
# pair_coeff * * hertz/material 5e8 0.5 0.3 tangential mindlin NULL 0.0 0.5 damping coeff_restitution #synchronized_verlet
|
|
|
|
timestep 1e-6
|
|
fix frz ps freeze
|
|
fix g fine gravity 9.81 vector 0 0 -1
|
|
fix 1 fine nve/sphere
|
|
|
|
# dump 1 all custom 3000 op.dump id x y z vx vy vz type diameter
|
|
|
|
comm_modify vel yes
|
|
|
|
thermo 3000
|
|
thermo_style custom step ke
|
|
run_style verlet
|
|
run 300000
|
|
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
|
|
Neighbor list info ...
|
|
update: every = 1 steps, delay = 0 steps, check = yes
|
|
max neighbors/atom: 2000, page size: 100000
|
|
master list distance cutoff = 0.011
|
|
ghost atom cutoff = 0.011
|
|
binsize = 0.0055, bins = 11 8 8
|
|
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
|
(1) pair granular, perpetual
|
|
attributes: half, newton off, size, history
|
|
pair build: half/size/bin/atomonly/newtoff
|
|
stencil: full/bin/3d
|
|
bin: standard
|
|
Per MPI rank memory allocation (min/avg/max) = 9.962 | 9.962 | 9.962 Mbytes
|
|
Step KinEng
|
|
0 0
|
|
3000 7.7090707e-16
|
|
6000 3.1112308e-15
|
|
9000 7.1190199e-15
|
|
12000 1.2962629e-14
|
|
15000 2.0887639e-14
|
|
18000 3.1226914e-14
|
|
21000 4.4414232e-14
|
|
24000 6.1002083e-14
|
|
27000 8.1684384e-14
|
|
30000 1.0732511e-13
|
|
33000 1.3899407e-13
|
|
36000 1.7801129e-13
|
|
39000 2.2600198e-13
|
|
42000 2.8496431e-13
|
|
45000 3.5735283e-13
|
|
48000 4.4618097e-13
|
|
51000 5.5514685e-13
|
|
54000 6.8878751e-13
|
|
57000 8.5266773e-13
|
|
60000 1.0536111e-12
|
|
63000 1.2999827e-12
|
|
66000 1.6020342e-12
|
|
69000 1.9723255e-12
|
|
72000 2.4262387e-12
|
|
75000 2.9826051e-12
|
|
78000 3.6644675e-12
|
|
81000 4.5000076e-12
|
|
84000 5.5236701e-12
|
|
87000 6.7775234e-12
|
|
90000 8.3129012e-12
|
|
93000 1.0192374e-11
|
|
96000 1.2492108e-11
|
|
99000 1.5304665e-11
|
|
102000 1.8742302e-11
|
|
105000 2.2940821e-11
|
|
108000 2.8063988e-11
|
|
111000 3.4308518e-11
|
|
114000 4.1909557e-11
|
|
117000 5.1146464e-11
|
|
120000 6.2348576e-11
|
|
123000 7.5900357e-11
|
|
126000 9.2245024e-11
|
|
129000 1.1188527e-10
|
|
132000 1.3537906e-10
|
|
135000 1.6332784e-10
|
|
138000 1.9635358e-10
|
|
141000 2.3506042e-10
|
|
144000 2.7997636e-10
|
|
147000 3.3147111e-10
|
|
150000 3.8964803e-10
|
|
153000 4.5421327e-10
|
|
156000 5.2433218e-10
|
|
159000 5.9849452e-10
|
|
162000 6.7442135e-10
|
|
165000 7.4905649e-10
|
|
168000 8.1868568e-10
|
|
171000 8.7921156e-10
|
|
174000 9.2657849e-10
|
|
177000 9.572932e-10
|
|
180000 9.6894112e-10
|
|
183000 9.6057611e-10
|
|
186000 9.3288006e-10
|
|
189000 8.8804741e-10
|
|
192000 8.2942739e-10
|
|
195000 7.6102002e-10
|
|
198000 6.869483e-10
|
|
201000 6.1101259e-10
|
|
204000 5.3638937e-10
|
|
207000 4.6548772e-10
|
|
210000 3.9993964e-10
|
|
213000 3.4068233e-10
|
|
216000 2.8808878e-10
|
|
219000 2.4211155e-10
|
|
222000 2.0241684e-10
|
|
225000 1.6849649e-10
|
|
228000 1.3975448e-10
|
|
231000 1.1556883e-10
|
|
234000 9.5332935e-11
|
|
237000 7.8480745e-11
|
|
240000 6.4500131e-11
|
|
243000 5.2938118e-11
|
|
246000 4.340082e-11
|
|
249000 3.5550184e-11
|
|
252000 2.9099024e-11
|
|
255000 2.3805311e-11
|
|
258000 1.9466371e-11
|
|
261000 1.5913344e-11
|
|
264000 1.3006115e-11
|
|
267000 1.0628799e-11
|
|
270000 8.6858064e-12
|
|
273000 7.0984554e-12
|
|
276000 5.8020943e-12
|
|
279000 4.7436746e-12
|
|
282000 3.8797193e-12
|
|
285000 3.1746291e-12
|
|
288000 2.5992781e-12
|
|
291000 2.1298521e-12
|
|
294000 1.7468903e-12
|
|
297000 1.4344968e-12
|
|
300000 1.1796924e-12
|
|
Loop time of 0.147642 on 1 procs for 300000 steps with 3 atoms
|
|
|
|
100.0% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.063766 | 0.063766 | 0.063766 | 0.0 | 43.19
|
|
Neigh | 3.1991e-05 | 3.1991e-05 | 3.1991e-05 | 0.0 | 0.02
|
|
Comm | 0.021321 | 0.021321 | 0.021321 | 0.0 | 14.44
|
|
Output | 0.00039887 | 0.00039887 | 0.00039887 | 0.0 | 0.27
|
|
Modify | 0.032762 | 0.032762 | 0.032762 | 0.0 | 22.19
|
|
Other | | 0.02936 | | | 19.89
|
|
|
|
Nlocal: 3 ave 3 max 3 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 3 ave 3 max 3 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 3
|
|
Ave neighs/atom = 1
|
|
Neighbor list builds = 19
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:00
|