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[lammps-users] ERROR: Invalid fix style
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[lammps-users] ERROR: Invalid fix style


From: "R. Varsha" <varsharani.0909@...24...>
Date: Wed, 20 Sep 2017 21:06:02 +0530

Hello all,

I am trying to run my simulation of ionic current. While running I am getting the following error-
ERROR: Invalid fix style (../modify.cpp:714)

I went through mailing list for the same error and I found about to install some required packages -
rigid , misc.

After the installation of such packages still I am facing same error.

Please help me in this regard.

Input file-

 units           real
dimension    3
boundary     p p p
atom_style     full
#atom_modify    map array
neigh_modify    delay 0 every 1 check yes
processors     * * *

variable timecoef equal 1.00
variable T equal 300
variable thermo_itv equal 50
variable dump_itv equal 50
variable dumpvel_itv equal 50
variable equi_steps equal 100000
variable flow_stepsA equal 40000
variable seed equal 2012
#variable fid equal 30604
# atom definition:
read_data     bulk_solution.lammps

###############################################
# group definition:
group           hydrogens type 2
group           oxygen type 1
group           fluidmols type 1 2
group           potassium type 3
group           chloride type 4
group           ions type 3 4
group           solutions type 1 2 3 4
#################################################
# force fields
variable        rcF equal 12.0
pair_style      lj/cut/coul/long  ${rcF} ${rcF}
pair_coeff      1 1  0.15539 3.1656
pair_coeff      2 2  0.0     0.0          # H
pair_coeff      3 3  0.43    2.84         # K
pair_coeff      4 4  0.0128  4.83         # Cl
pair_modify    mix arithmetic
############################################
kspace_style    pppm 1e-05
dielectric      1.0
bond_style      harmonic
bond_coeff      1 450.0 1.0

angle_style     harmonic
angle_coeff     1 100.0 109.47
print "Angle"

# minimization
min_style       sd
minimize        1.0e-4 1.0e-5 1000 10000
print "Min"
###############################################3
reset_timestep 0
timestep ${timecoef}
compute fluidtemp solutions temp
velocity  solutions create ${T} ${seed} dist gaussian temp fluidtemp mom yes rot yes units box
######################################################################################
#fix 1 fluidmols shake 0.0001 20 0 b 1 a 1
dump 2 ions dcd 1000 ions.dcd
dump 3 all custom 5000 system.lammpstrj id type x y z
#fix 3 solutions  nvt temp 300 300 100.0
run 1000000
#####################################################
#fix 4 all efield 0.0 0.0 0.1    #L=40A 1lammps=V/A*40A=40V
####################################################################################################
reset_timestep 0
thermo ${thermo_itv}
thermo_style    multi
restart         1000 extend_01.restart1 extend_01.restart2
run 15000000





Thanks & Regards