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[ÇóÖú] ÇóÖú£¬lammmps³öÏÖNumeric index is out of bounds ¡£Ôõô»ØÊÂÄØ£¬ÈçºÎÐ޸ģ¿

²Î¿¼Ò»¸öÎÄÏ×¼ÆËãCuµÄ¿ÕλÄÜ£¬ÎÒÒ²¾Í¸Ä³ÉPdµÄÁË£¬ÎªÉ¶»á³öÏÖNumeric index is out of bounds ÁËÄØ£¿
´úÂëÈçÏ£ºunits metal
boundary p p p
atom_style atomic

lattice fcc 3.89
region box block 0 6 0 6 0 6
create_box 1 box
create_atoms 1 box
pair_style eam
pair_coeff ** Pd_u3.eam Pd

run 0
varible E equal pe
varible N equal atoms
print"the number of atoms &system energy now are $N $E"

region centerpoint block 3 3.05 3 3.05 3 3.05
delete_atoms region centerpoint
min_style sd
minimize 1.0e-12 1.0e-12 1000 1000
print"the number of atoms &system energy now are $N $E"
compute 3 all pe/atom
compute 4 all ke/atom
compute 5 all coord/atom 3.0
dump 1 all custom 1 dump.atom id xs ys zy c_3 c_4 c_5
timestep 0.005
run 1
ÏÔʾµÄ£º

Lattice spacing in x,y,z = 3.89 3.89 3.89
Created orthogonal box = (0 0 0) to (23.34 23.34 23.34)
  1 by 1 by 1 MPI processor grid
Created 864 atoms
ERROR: Numeric index is out of bounds (../force.cpp:684)
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