Confusion

Is it possible to get different(very much) output value(thermal conductivity) in Lammps inspite of using same input script,data and potential file??

What is the difference in your two simulations? You say you use the same input, data, and potential files, but something must be different to produce different results.

Also, thermal conductivity is not a LAMMPS output, but a property computed with post-processing. Are there significant differences in the output potential energies, pressure tensor, temperature, etc.?

In one device the obtained thermal conductivity is around 800 w/(mk) and in another device it appears around 5000 w/(mk).

  1. What is the difference in the input of your simulations?
  2. What devices are you talking about? Are you running the same input on different hardware?
  3. Thermal conductivity is not a LAMMPS output, but a property computed with post-processing. Are there significant differences in the output potential energies, pressure tensor, temperature, etc.?

Please answer all questions asked of you if you need help solving a problem.

1)There are no differences,input files are same(text file)
2)Iā€™m talking about laptop/pc
3)yes,there are significant differences in the output potential energies, pressure tensor, temperature, etc.

In general, a stable system with the same input should produce near identical outputs, at least in terms of overall quantities. Could you please provide

  1. Your input file
  2. The log file from your first machine (laptop?)
  3. The log file from your second machine (PC?)

The LAMMPS version that is used can sometimes also be a critical parameter.

1 Like

Good point,going to investigate this!