Parallel computing TTM/mod only running with single processor

LAMMPS LAMMPS Development
1

Good morning,
I am doing a project involving TTM, and specifically TTM/mod. When I run TTM/mod it gives me the following error:

ERROR on proc 1: FileReader should only be called by proc 0! (…/potential_file_reader.cpp:54)
Last command: fix 3 ALUMINUM ttm/mod 123456 ttm_mod-Al.in {NxA} {NyA} ${NzA} infile simpleTTM3.txt outfile 100 T-Al.out

It appears that TTM/mod does not work with parallel computing: the code runs fine if using just one processor. Regular TTM and TTM/grid work with multiple processors so only TTM/mod gives the error with multiple processors. Any idea what may be causing this and how to fix? Thanks!

2

What is your LAMMPS version?

3

29 Sep 2021

4

This is a bug in the code due to incorrect use of the class producing the error message. I will look into fixing it.

5

Ok thank you. I will keep running on single processor until the fix is released. Thanks again for the help

6

Please try to compile the attached modified version of fix ttm/mod with your LAMMPS version and let me know if that resolves the issue.

fix_ttm_mod.cpp.gz (7.8 KB)

7

It works thank you!