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cl1994861

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[求助] 关于fix ave/chunk command问题已有1人参与

在运行lammps中examples 中的例子KAPPA中in.mp时出现  ”error :no value in fix ave/chunk command",我都没改它的代码，只是照着运行一下，这个例子的in文件的文本如下：
echo screen
variable x equal 10
variable y equal 10
variable z equal 20

variable rho equal 0.6
variable       t equal 1.35
variable rc equal 2.5

units lj
atom_style atomic

lattice fcc ${rho}
region box block 0 $x 0 $y 0 $z
create_box 1 box
create_atoms 1 box
mass 1 1.0

velocity all create $t 87287

pair_style lj/cut ${rc}
pair_coeff 1 1 1.0 1.0

neighbor 0.3 bin
neigh_modify delay 0 every 1

# 1st equilibration run

fix 1 all nvt temp $t $t 0.5
thermo 100
run 1000

velocity all scale $t

unfix 1

# 2nd equilibration run

compute ke all ke/atom
variable temp atom c_ke/1.5

fix 1 all nve

compute layers all chunk/atom bin/1d z lower 1 units reduced
fix 2 all ave/chunk 10 100 1000 layers v_temp file profile.mp

fix 3 all thermal/conductivity 10 z 20

variable       tdiff equal f_2[11][3]-f_2[1][3]
thermo_style custom step temp epair etotal f_3 v_tdiff

thermo 1000
run 20000

# thermal conductivity calculation
# reset fix thermal/conductivity to zero energy accumulation

fix 3 all thermal/conductivity 10 z 20

fix          ave all ave/time 1 1 1000 v_tdiff ave running
thermo_style custom step temp epair etotal f_3 v_tdiff f_ave

run 20000

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