large cutoff distance

Hi Steve,

I have a question on the simulation with large cutoff distance. In my system, 90% atoms have the cutoff distance around 1.2 [LJ unit]. However, 10% of them have a very large cutoff distance, e.g. 10 [LJ unit].

When I use the bin size as 2.5 [LJ unit], the simulation runs very slow. Do you have any suggestions on settings for neighbor/ neigh_modify, then, I can run the simulation faster?

Thank you very much!
All my best,

Ying Li

Hi Steve,

I have a question on the simulation with large cutoff distance. In my
system, 90% atoms have the cutoff distance around 1.2 [LJ unit]. However,
10% of them have a very large cutoff distance, e.g. 10 [LJ unit].

When I use the bin size as 2.5 [LJ unit], the simulation runs very slow. Do
you have any suggestions on settings for neighbor/ neigh_modify, then, I can
run the simulation faster?

try using neighbor list style "multi" instead of "bin".

you may also want to try out communicate style "multi"

cheers,
     axel.