Problem moving particle [Updated 10/10/13]

Submitted by pfalkingham on Fri, 09/13/2013 - 20:01
Plain text icon Initial generation3.91 KB
Plain text icon Main file.3.57 KB

I'm trying to set up a volume of particles, then move the particle with ID 1 to a position above the volume, change it's diameter and density, and let it drop. Problem is it disappears.

I make the volume separately (create.txt), and then in the main file that (drop.txt) that file is read in and I use the following:

run 10

set atom 1 x 0 y 0 z 0 vx 0 vy 0 vz 0
set atom 1 diameter 0.03
set atom 1 density 4865

run 60000

The first dump file (produced before run 10) contains all the particles, the next output after the set atom commands simply doesn't contain particle 1 anymore.

Liggghts 2.3.7, both make fedora and make openmpi produce this problem.


Here are input files with larger particles that should run in a reasonable time.

It looks like it could be a communication issue - in this case, it works fine on my local laptop, and it works fine on the HPC when only requesting 1 node (12 cores), but the moved particle disappears when I request 2 nodes or more (24+cores).

Tested using 2.3.8, compiled as xt5, and fedora.