LIGGGHTS fix insert/pack: particles not created along a plane in the middle of the simulation box

Submitted by ljoly on Thu, 06/07/2018 - 12:20

Dear all,

We have recently started using LIGGGHTS; it is an amazing code!

There is one thing that surprised us thought when running the example scripts and some scripts of our own.

For instance, in the cohesion folder,

region reg block -0.05 0.05 -0.05 0.05 0. 0.15 units box
region bc cylinder z 0.01 0.01 0.025 0.05 0.0603 units box
fix pts1 all particletemplate/sphere 15485863 atom_type 1 density constant 2500 radius constant 0.0015
fix pdd1 all particledistribution/discrete 15485867 1 pts1 1.0

fix ins nve_group insert/pack seed 32452843 distributiontemplate pdd1 &
maxattempt 100 insert_every 3000 overlapcheck yes all_in yes vel constant 0.0 0.0 -0.2 &
region bc particles_in_region 250 ntry_mc 10000

particles are not created along a plane in the middle of the simulation box, see enclosed snapshot. In our tests this turned out to be a problem when we wanted to insert particles in a small region centered in the middle of the box, as fix insert/pack failed to insert particles, while there is in principle enough space.

Could this be a bug?

Best regards,
Laurent Joly

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mschramm | Thu, 06/07/2018 - 20:45

Hello,
Was this done on a single core?
If not, this may have been the location of a core boundary as LIGGGHTS splits the simulation domain into
multiple DEM simulations where MPI is used to transport information of particles near the sub-simulation
boundary to other simulations.