hi all user,
i am using npt system,for generating random configuration.
Initially i used in my simulation box 512 particle there is no
problem it run successively, but my problem is when i am using
4096 particle it,s shows error "lost of atom ". i used the same
input script file of 512 particle. only i changed the number of
particle and length of box. help me to remove this error lost of
atoms.
below i have given the initial lines of my script file:-
hi all user,
i am using npt system,for generating random configuration.
Initially i used in my simulation box 512 particle there is no
problem it run successively, but my problem is when i am using
4096 particle it,s shows error "lost of atom ". i used the same
input script file of 512 particle. only i changed the number of
particle and length of box. help me to remove this error lost of
atoms.
the explanation of what this can mean is given in the LAMMPS manual.
very, very likely *both* of your simulations are flawed through use of
bad parameters resulting in bad physics. the fact, that you don't see
the problem with a smaller system, is simply a finite size effect,
since small systems result in smaller fluctuations and thus a reduced
sampling of the relevant phase space.
in short. you have to help yourself. figure out, which part of your
input is wrong or too aggressive and adjust it. nobody can do it from
remote.
axel.
> hi all user,
> i am using npt system,for generating random configuration.
> Initially i used in my simulation box 512 particle there is no
> problem it run successively, but my problem is when i am using
> 4096 particle it,s shows error "lost of atom ". i used the same
> input script file of 512 particle. only i changed the number of
> particle and length of box. help me to remove this error lost of
> atoms.the explanation of what this can mean is given in the LAMMPS manual.
very, very likely *both* of your simulations are flawed through use of
bad parameters resulting in bad physics. the fact, that you don't see
the problem with a smaller system, is simply a finite size effect,
since small systems result in smaller fluctuations and thus a reduced
sampling of the relevant phase space.in short. you have to help yourself. figure out, which part of your
input is wrong or too aggressive and adjust it. nobody can do it from
remote.axel.
>
> below i have given the initial lines of my script file:-
They arent of much use..!! The final lines of script file that you havnt
posted here are the main culprits. And as stated above, they are resulting
in bad dynamics.
Sagar