Dear Lammps Users,
I am using the in.bar1d example for solid argon. but I provided the initial trajectory of the solid argon as a system that has a small crack at its edge. but I am getting the error:
ERROR on proc 0: Non-numeric atom coords - simulation unstable (src/OPENMP/domain_omp.cpp:58)
right at the beginning of my simulation.
I don’t know what the problem is.
And as another problem, in the in.bar1d example, I don’t quite get why the system dimension in temp.init file is very different from the dimensions stated in the in.bar1d code for the mdregion. the dimensions in the temp.init are
-27.025 27.025 xlo xhi
-16.215 16.215 ylo yhi
-16.215 16.215 zlo zhi
while the mdregion specified in the code is:
region mdInternal block -5 5 -3 3 -3 3
I think my main problem is that I do not understand what is happening in the original example in terms of system formation.
I would appreciate your help.