I am simulating a tenary system with three different types of atoms, the system size is small, only a 15168 (a^3) cube.
In my simulation ( the input is shown as following ), the screen output shows that Dangerous builds is nonzero
Following the documentation, I changed my delay factor, but the it doesn’t take effect on the “dangerous builds” number.
How should i do to eliminate this danerous build to be zero?
Thanks all your help!
boundary s s s
pair_coeff * * library-tenary.meam Si O Au sio2au.meam Si O Au
neighbor 0.3 bin
neigh_modify delay 10
restart 2000 bkup_tenary_1.rst bkup_tenary_2.rst
compute new all temp
velocity all create 1.0 19801231 temp new
thermo_style custom step temp pe ke etotal vol press
thermo_modify lost warn norm yes
fix 1 all nvt 0.01 0.01 0.005 drag 0.2
dump 1 all custom 5000 dump.tenary tag type x y z