Mysterious problem

I am new to the Lammps. I have a problem that I am unable to understand. Actually, I am running the same script on two different computers. On one computer, I am getting the correct result and on the other, there is a difference in result. I don’t know why it is happening? Anyone, please suggest why it is happening?

Hi Sumit,

This is in fact the reality of a molecular system. What you’re seeing is an inherent randomness arising from the system of equations being solved in MD simulations and accuracy is expected only in a statistical sense.


Who can tell? Could be harmless, could be a bug, could be a mistake on your side.

But since you are not telling us what king of simulation of what kind of system with what version(s) of LAMMPS on how many processors with what kind of command line on what kind of architecture and OS you are running, and also not telling us how you know which is the “correct” result and how different the different result is, the real mystery here is how you can expect a meaningful, well-founded response.

Please ask smarter questions, and you’ll get smarter (and less aggressive) answers.


P. S. : there is an entire web page dedicated to show people how to ask smarter questions (about software), BTW.