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update example

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This commit is contained in:
Axel Kohlmeyer
2024-05-13 14:07:24 -04:00
parent 4e7bddaa0b
commit 74f29ba2f3
3 changed files with 13 additions and 12 deletions
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examples/granular/coeff_restitution/data.particles → examples/granular/data.particles
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examples/granular/coeff_restitution/in.coeff_restitution → examples/granular/in.restitution
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examples/granular/coeff_restitution/log.11Nov23.cor.g++.1 → examples/granular/log.13May23.restitution.g++.1
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@ -1,4 +1,5 @@
LAMMPS (21 Nov 2023 - Development - ) LAMMPS (17 Apr 2024 - Development - patch_17Apr2024-93-g4e7bddaa0b)
using 1 OpenMP thread(s) per MPI task
units si units si
atom_style sphere atom_style sphere
@ -29,8 +30,8 @@ timestep 1e-9
fix 1 all nve/sphere fix 1 all nve/sphere
compute s all stress/atom NULL pair compute s all stress/atom NULL pair
dump 1 all custom 2000000 op.dump id x y z vx vy vz #dump 1 all custom 2000000 op.dump id x y z vx vy vz
dump_modify 1 pad 8 #dump_modify 1 pad 8
thermo_style custom step ke thermo_style custom step ke
run_style verlet run_style verlet
run 10000000 run 10000000
@ -51,19 +52,19 @@ Per MPI rank memory allocation (min/avg/max) = 10.1 | 10.1 | 10.1 Mbytes
Step KinEng Step KinEng
0 8.3775804e-05 0 8.3775804e-05
10000000 5.3616513e-05 10000000 5.3616513e-05
Loop time of 5.06865 on 1 procs for 10000000 steps with 2 atoms Loop time of 5.99782 on 1 procs for 10000000 steps with 2 atoms
99.7% CPU use with 1 MPI tasks x no OpenMP threads 77.9% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.55389 | 0.55389 | 0.55389 | 0.0 | 10.93 Pair | 0.60235 | 0.60235 | 0.60235 | 0.0 | 10.04
Neigh | 0.00022182 | 0.00022182 | 0.00022182 | 0.0 | 0.00 Neigh | 0.00021965 | 0.00021965 | 0.00021965 | 0.0 | 0.00
Comm | 1.9988 | 1.9988 | 1.9988 | 0.0 | 39.43 Comm | 1.7939 | 1.7939 | 1.7939 | 0.0 | 29.91
Output | 0.00023837 | 0.00023837 | 0.00023837 | 0.0 | 0.00 Output | 2.5955e-05 | 2.5955e-05 | 2.5955e-05 | 0.0 | 0.00
Modify | 1.26 | 1.26 | 1.26 | 0.0 | 24.86 Modify | 1.7622 | 1.7622 | 1.7622 | 0.0 | 29.38
Other | | 1.255 | | | 24.77 Other | | 1.839 | | | 30.66
Nlocal: 2 ave 2 max 2 min Nlocal: 2 ave 2 max 2 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
@ -76,4 +77,4 @@ Total # of neighbors = 0
Ave neighs/atom = 0 Ave neighs/atom = 0
Neighbor list builds = 14 Neighbor list builds = 14
Dangerous builds = 0 Dangerous builds = 0
Total wall time: 0:00:05 Total wall time: 0:00:06