Pressure components increase during Minimization

Dear LAMMPS users,

Hi,

For my simulation I observe that the value of pressure components, i.e. Pxx Pyy Pzz, increases during the minimization as follow. But, I don’t think it is logical. Do you have any explanation or comment please ?

Initial:

528.75226 725.54093 2592.256

Final:

-133206.05 -133167.2 32287

Thanks in advance,

Ali

Dear LAMMPS users,

Hi,

For my simulation I observe that the value of pressure components, i.e. Pxx
Pyy Pzz, increases during the minimization as follow. But, I don't think it
is logical. Do you have any explanation or comment please ?

it is impossible to say anything meaningful without knowing more
details. i can imagine scenarios where this could happen.

axel.

Hi Axel,

Could you please just name some of the most probable reasons of it ? Even one or two could help me. I guess it should related to the structure.

Regards,

Ali

Hi Axel,

Could you please just name some of the most probable reasons of it ? Even
one or two could help me. I guess it should related to the structure.

i strongly dislike doing that for two reasons:
- without any ground to stand on, i have to make guesses and
assumptions that may be way off the real reason. since discussions
here are archived, i don't want people that search the archive draw
wrong conclusions because i am making incorrect guesses.
- i am a curious person and i like to figure out things and learn from
it. since i am not getting paid in cash for answering questions, i
expect people to feed my curiosity instead. if you don't want to feed
my curiosity, you either have to feed by piggy bank or figure things
out on your own.

axel.