Hi;
I changed in.srd.mixture in examples directory of LAMMPS package to work in 3 dimension and i want to use fix wall/srd command in order to create a wall that can interact with srd particles in the middle of simulation box . Because i want to create a wall that is impermeable towards srd particles. So i used fix wall/srd command but i faced the following error:
ERROR on proc 0: SRD particle 1337 started inside big particle 5 on step 3 bounce 1
I attach my input file and paste which were printed in terminal.
If it is possible for you, please check my input file and guide me what my mistake is?
Best regards;
Anora;
LAMMPS (31 Aug 2011)
Lattice spacing in x,y,z = 1.07722 1.07722 1.07722
Created orthogonal box = (-5.38609 -5.38609 -5.38609) to (5.38609 5.38609 5.38609)
1 by 1 by 1 processor grid
Created 1331 atoms
Setting atom values …
1331 settings made for mass
Setting atom values …
1331 settings made for diameter
1331 atoms in group big
Setting up run …
Memory usage per processor = 2.47316 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1.44 -4.5305389 0 -2.3721618 1.6884612 1250.0696
1000 0.83427162 -3.5247396 0 -2.2742723 0.0071762949 22582.741
Loop time of 1.02036 on 1 procs for 1000 steps with 1331 atoms
Pair time () = 0.752832 (73.781)
Neigh time () = 0.208314 (20.4157)
Comm time () = 0.00246318 (0.241403)
Outpt time () = 4.19848e-05 (0.00411471)
Other time (%) = 0.0567088 (5.55773)
Nlocal: 1331 ave 1331 max 1331 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: 28887 ave 28887 max 28887 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 28887
Ave neighs/atom = 21.7032
Neighbor list builds = 115
Dangerous builds = 0
Lattice spacing in x,y,z = 1.07722 1.07722 1.07722
Lattice spacing in x,y,z = 0.35422 0.35422 0.35422
Created 29791 atoms
Setting atom values …
29791 settings made for mass
Setting atom values …
29791 settings made for diameter
29791 atoms in group small
System init for delete_atoms …
Deleted 10116 atoms, new total = 21006
WARNING: Temperature for thermo pressure is not for group all
MASS SRD 0.01
SRD info:
SRD/big particles = 19675 1331
big particle diameter max/min = 0.85 0.85
SRD temperature & lamda = 1 2
SRD max distance & max velocity = 8 40
SRD grid counts: 69 56 65
SRD grid size: request, actual (xyz) = 0.45, 0.446742 0.450828 0.448114
SRD per actual grid cell = 0.0798441
SRD viscosity = -11.2994
big/SRD mass density ratio = 351.527
WARNING: Fix srd grid size > 1/4 of big particle diameter
WARNING: Fix srd viscosity < 0.0 due to low SRD density
of rescaled SRD velocities = 0
ave/max small velocity = 16.6324 29.4054
ave/max big velocity = 1.45941 4.13631
Setting up run …
WARNING: Fix srd SRD moves may trigger frequent reneighboring
Memory usage per processor = 69.2833 Mbytes
Step Temp TotEng pebig ebig Press
0 0.41697905 -0.14410437 -3.5247396 -2.2742723 0.0071494101
ERROR on proc 0: SRD particle 1337 started inside big particle 5 on step 3 bounce 1
in.srd.mixture (1.9 KB)