Limit of number of images

LAMMPS LAMMPS General Discussion
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Hi, I am trying to simulate an infinite lattice and for that II have used pbc.
However, when I look at the unwrapped atom coordinates (of a particle moving in this lattice), the trajectory suddenly jumps after xi~1024*L_i where L is the box size (in that dimension).

Thus I am restricted to trajectories where x<1024L. Is there a limit on the number of particle images? it seems to me that 1024*L{box} is some kind of limit.

i need to get around this limit, as i am looking at the long time Mean-Squared displacement. I need the dimensionless MSD, so scaling everything down doesn’t help as the limit is proportional to the box size.

PS: Currently I am simulating only one lattice point and then using pbc to replicate the lattice, I can do the same simulation by having more lattice points thus increasing L (box size), but this is more complicated.

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First off, please read the forum guidelines Please Read This First: Guidelines and Suggestions for posting LAMMPS questions and pay particular attention to selecting the correct forum category. You posted to the wrong one.

To solve your problem, you need to recompile LAMMPS with the “bigbig” integer settings 3.5. Optional build settings — LAMMPS documentation. This chooses are 64-bit integer for image flags and thus you can have 21 bits for storing image flags instead of the 10 with 32-bit integers.

1 Like
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Sorry about posting on the wrong forum, will keep that in mind, and thanks for the solution!