LAMMPS (22 Aug 2018) # 3d Lennard-Jones melt - server script variable mode index file if "${mode} == file" then "message server md file tmp.couple" elif "${mode} == zmq" "message server md zmq *:5555" elif "${mode} == mpione" "message server md mpi/one" elif "${mode} == mpitwo" "message server md mpi/two tmp.couple" message server md mpi/two tmp.couple units lj atom_style atomic dimension 2 atom_modify map yes lattice sq2 0.8442 Lattice spacing in x,y,z = 1.53919 1.53919 1.53919 region box prism 0 10 0 8 -0.5 0.5 0 0 0 create_box 2 box Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0) 2 by 2 by 1 MPI processor grid create_atoms 1 box Created 160 atoms Time spent = 0.000378847 secs mass * 1.0 # masses not used by server pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 1.0 neighbor 0.3 bin neigh_modify delay 0 every 1 check yes server md 2 by 2 by 1 MPI processor grid WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.3 ghost atom cutoff = 1.3 binsize = 0.65, bins = 24 19 3 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut, perpetual attributes: half, newton on pair build: half/bin/newton/tri stencil: half/bin/2d/newton/tri bin: standard Server MD calls = 50001 Server MD reneighborings 5066 Total wall time: 0:00:06