forked from lijiext/lammps
49 lines
1.5 KiB
Groff
49 lines
1.5 KiB
Groff
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LAMMPS (22 Aug 2018)
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# 3d Lennard-Jones melt - server script
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variable mode index file
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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"
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message server md zmq *:5555
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units lj
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atom_style atomic
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dimension 2
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atom_modify map yes
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lattice sq2 0.8442
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Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
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region box prism 0 10 0 8 -0.5 0.5 0 0 0
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create_box 2 box
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Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
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1 by 1 by 1 MPI processor grid
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create_atoms 1 box
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Created 160 atoms
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Time spent = 0.000557184 secs
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mass * 1.0 # masses not used by server
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pair_style lj/cut 2.5
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pair_coeff * * 1.0 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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server md
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1 by 1 by 1 MPI processor grid
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WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.3
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ghost atom cutoff = 1.3
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binsize = 0.65, bins = 24 19 3
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair lj/cut, perpetual
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attributes: half, newton on
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pair build: half/bin/newton/tri
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stencil: half/bin/2d/newton/tri
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bin: standard
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Server MD calls = 50001
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Server MD reneighborings 5073
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Total wall time: 0:00:12
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