[lammps-users] lost atoms

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1

Dear All,

I have a question, when I used PBC along three dirctions,i.e., “boundary p p p”.

But why there is still an error information of “lost atoms” during the thermal equilibriation.

Thanks.

2

Dear All,

I have a question, when I used PBC along three dirctions,i.e., "boundary p
p p".

But why there is still an error information of "lost atoms" during the
thermal equilibriation.

because your atoms move too fast and then LAMMPS cannot
communicate them to the correct domain.

cheers,
    axel.