Dear All,
I’m running a simulation of bead spring systems. Everything goes fine as I make a dump file from a snapshot during the run. Then I’m trying to start a new simulation from this snapshot dump. After loading the data file I run:
read_dump dump.4828 4828 x y z ix iy iz box yes
where 4828 is the frame number in the dump. This simulation results in nan values for the potential energy as well as other parameters like pressure. This gets fixed by only removing the read_dump command.
I would appreciate if someone can help me fix this issue.
Thank You
Ehsan
Dear All,
I'm running a simulation of bead spring systems. Everything goes fine as I
make a dump file from a snapshot during the run. Then I'm trying to start a
new simulation from this snapshot dump. After loading the data file I run:
read_dump dump.4828 4828 x y z ix iy iz box yes
where 4828 is the frame number in the dump. This simulation results in nan
values for the potential energy as well as other parameters like pressure.
This gets fixed by only removing the read_dump command.
I would appreciate if someone can help me fix this issue.
if you want help, you have to help people to help you.
there is a *lot* of information missing and particularly
no (convenient) way to reproduce it.
you can do this by creating a small(!) test system
and reproduce the problem and then post the complete
input deck (input scripts, data and detailed instructions).
second, you didn't say which version of LAMMPS you
are using (is it the current one?) and what platform you
are running on, what compilers you used etc. etc.
the more accurate, complete, specific, and easy to
follow the information you provide is, the higher the
chances that somebody will look into it.
thanks for your attention,
axel.