Thanks Amy for your answer. But in which file it will write the output. Can it be written in a separate file ?

I think it can be writen to a dump file of Lammps. Please read the doc page of dump command and other related commands, http://lammps.sandia.gov/doc/dump.html

Hello

I have calculated the pe/atom using the command you suggested. i.e.

compute ID all  pe/atom.

Then I add all the PE of individual atom I have obtained in one md_steps.

I got some number x(let).

Again I calculated the total pe of the system using

thermo_style custom step pe.

I got a number y (y).

I was expecting that these two number should be equal. But I got y=2x approximately.

I am in doubt whether I am getting the right pe/atom  or not.

Omkar