forked from lijiext/lammps
28 lines
455 B
Plaintext
28 lines
455 B
Plaintext
# 3d Lennard-Jones melt
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# set variable g = 1/2 for 1/2 GPUs
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if "$g == 1" then "package cuda gpu/node 1"
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if "$g == 2" then "package cuda gpu/node 2"
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units lj
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atom_style atomic
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lattice fcc 0.8442
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region box block 0 $x 0 $y 0 $z
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create_box 1 box
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create_atoms 1 box
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mass 1 1.0
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velocity all create 1.44 87287 loop geom
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pair_style lj/cut 2.5
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pair_coeff 1 1 1.0 1.0 2.5
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neighbor 0.3 bin
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neigh_modify delay 0 every 20 check no
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fix 1 all nve
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run $t
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