Dear All,
I am using LAMMPS (14 Feb 2014) and have some questions about wall/piston & shock :
I use fix wall/piston to create shock wave and give the piston a range of velocity:10,20,50…During the shocking,I also use fix nve to create a independent condition.
fix 1 all nve
fix 2 all wall/piston zlo pos 1.0 0.0 0.0 vel 0.0 0.0 20.0 units box
The box is ~40A40A300A
Only a part of atoms are accelerated initially and then they are compressed by piston.I am confused the other atoms almost don’t move with the piston going forward.At last, I get the error: Neighbor list overflow, boost neigh_modify one
I change the parameter via using:
neighbor 2.0 bin
neigh_modify delay 1 check yes
However, nothing changes.I wonder how to solve the problem?
PS: a movie is attached.
Dear All,
I am using LAMMPS (14 Feb 2014) and have some questions about wall/piston &
shock :
I use fix wall/piston to create shock wave and give the piston a range of
velocity:10,20,50...During the shocking,I also use fix nve to create a
independent condition.
fix 1 all nve
fix 2 all wall/piston zlo pos 1.0 0.0 0.0 vel 0.0 0.0 20.0 units box
The box is ~40A*40A*300A
Only a part of atoms are accelerated initially and then they are compressed
by piston.I am confused the other atoms almost don't move with the piston
going forward.At last, I get the error: Neighbor list overflow, boost
neigh_modify one
I change the parameter via using:
neighbor 2.0 bin
neigh_modify delay 1 check yes
However, nothing changes.I wonder how to solve the problem?
how can it solve the problem, if you don't try the suggested change.
please re-read the neigh_modify documentation very, *very* carefully
and understand the meaning of the "one" option, the the way forward
will be obvious.
I am sorry.I forgot to give more details:The box contains 32000 atoms,and I also set the command to boost neigh_modify one as you said:
neighbor 2.0 bin
neigh_modify delay 10 check yes one 10000 page 200000
and I also try different parameters for delay:1 5 10
Nothing change,too.
The input script runs 1000 steps when the error above happens.
However, when I try a small box about 12A12A280A in size ,containing 1800 atoms,everything is OK.
I don’t know what’s wrong?How to deal with it?
As Axel will likely tell you; there isn’t enough here. But I suggest you go through your script, starting at the beginning, and check (visualise where necessary) that it’s doing what you expect. Your movie suggests that is not the case.