Dear Users,
I am getting following lost atoms error command where current atoms are more then original atoms. I am not adding any new atoms. I will appreciate if I can get some info on in what circumstances that might be happening (current atoms > original atoms)? Boundary conditions are PPP
Another confusion I have is regarding dynamic load balancing command. In my output file, the load distribution range along Y axis is greater then 1 (see below).
This is the part of my input script
PP = 32 for my case.
variable PP equal P/4
processors 4 {PP} 1
atom_style atomic
pair_style airebo 3.0 1 1
read_restart $S.npt.rst
pair_coeff * * CH.airebo C
balance dynamic 100 100 xy 1.0
reset_timestep 0
This is part of output
initial/final max atoms/proc = 5148 3068
initial/final imbalance factor = 2.61985 1.56132
x cuts: 0 0.375624 0.496284 0.615223 1
y cuts: 0 4.10379 6.17914 6.98267 7.46621 7.60734 7.4587 6.2826 1
z cuts: 0 1
My confusion is why I am getting ycut values more than 1 (such as 4.10379). I thought the boudaries are rescaled between 0 and 1 (as in xcut above).
Please guide.
Best Regards,
Vikas