Chain detection in LIGGGHTS

Submitted by hamedhoori on Thu, 06/13/2024 - 10:06

Hello everyone,

I am new to LIGGGHTS programming. However, I managed to modify the heat/gran/conduction module for my needs and add it as a new heat/gran mode into LIGGGHTS. In my code, I added a function to detect chains between two walls for the next steps of my work. The function works perfectly when using a single core for the section between two walls, but when using multiple cores, it can only detect chains from one wall to the boundary between the cores.
I read the LIGGGHTS guide and know that when using multiple cores, each core runs each function for the domain for which the core is responsible. However, is there a way to use just one core for this function in that source file since they are not computationally expensive? I would appreciate any suggestions on how to fix this or how to modify the code to avoid this.

Also, I am using the std namespace within LIGGGHTS to create vectors and use std's libraries and functions to work with the vectors in the functions I added to heat/gran.

Thanks