Output:
D:\body>lmp_serial -in in.small.txt
LAMMPS (27 Aug 2016-ICMS)
WARNING: OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (…/comm.cpp:90)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
1 by 1 by 1 MPI processor grid
Created 400 atoms
Setting atom values …
400 settings made for diameter
ERROR: Pair brownian requires monodisperse particles (…/pair_brownian.cpp:485)
input script:
#1
units lj
atom_style sphere
dimension 2
lattice sq 0.02
region box block 0 20 0 20 -0.5 0.5
create_box 2 box
create_atoms 1 box
set atom * diameter 1.0
pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567
pair_coeff 1 1 2.05 2.8
pair_coeff * *
neighbor 0.8 bin
fix 1 all nvt/sphere temp 300.0 300.0 100.0
timestep 0.002
Output:
D:\body>lmp_serial -in in.small.txt
LAMMPS (27 Aug 2016-ICMS)
WARNING: OMP_NUM_THREADS environment is not set. Defaulting to 1 thread.
(../comm.cpp:90)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
1 by 1 by 1 MPI processor grid
Created 400 atoms
Setting atom values ...
400 settings made for diameter
ERROR: Pair brownian requires monodisperse particles
(../pair_brownian.cpp:485)
input script:
#1
units lj
atom_style sphere
dimension 2
lattice sq 0.02
region box block 0 20 0 20 -0.5 0.5
create_box 2 box
create_atoms 1 box
set atom * diameter 1.0
pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567
pair_coeff 1 1 2.05 2.8
pair_coeff * *
neighbor 0.8 bin
fix 1 all nvt/sphere temp 300.0 300.0 100.0
timestep 0.002
----------------------------
I can not understand there is an error...All spheres are the same diameter,
but error.
doesn't happen here with a later version of LAMMPS on a Linux x86_64 machine.
LAMMPS (17 Nov 2016)
units lj
atom_style sphere
dimension 2
lattice sq 0.02
Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
region box block 0 20 0 20 -0.5 0.5
create_box 2 box
Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 400 atoms
set atom * diameter 1.0
Setting atom values ...
400 settings made for diameter
pair_style brownian 1.5 1 1 2.01 2.5 2.0 5878567
pair_coeff 1 1 2.05 2.8
pair_coeff * *
neighbor 0.8 bin
fix 1 all nvt/sphere temp 300.0 300.0 100.0
timestep 0.002
Total wall time: 0:00:00
axel.
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