Hi,
I am running extensional flow of Beadspring system.
I changed running to another lammps version with UEF pacakage by using a data file from the previous restart file.
Then I get the below error.
“Initial box is not close enough to the expected uef box”
Please advice on this.
Below is the lammps in put file I used:
log log.lammps.10
units lj
boundary p p p
atom_style bond
bond_style fene
atom_style angle
angle_style cosine
special_bonds lj/coul 0 1 1
pair_style lj/cut 2.5
read_data rest13.data
change_box all triclinic remap
bond_coeff * 30.0 1.5 1.0 1.0
pair_coeff * * 1.0 1.0 2.5
group all type 1 2
group beads type 1
group stickers type 2
#Define time and rate paramters
variable rate equal 7.43e-7
variable xrate equal ${rate}/2.0
timestep 0.01
variable Ttot equal ceil(10.0/${rate}/dt)
variable dint equal floor(0.2/${rate}/dt)
variable thint equal ceil(0.0001/${rate}/dt)
variable Trem equal ${Ttot}-step
variable time equal step*dt
fix 1 all nvt/uef temp 1.0 1.0 10.0 erate -{xrate} -{xrate}
fix 2 all momentum 100 linear 1 1 1
variable pxx equal c_1_press[1]
variable pyy equal c_1_press[2]
variable pzz equal c_1_press[3]
variable pxy equal c_1_press[4]
variable pxz equal c_1_press[5]
variable pyz equal c_1_press[6]
variable eps equal ${rate}*v_time
variable temp equal c_1_temp
variable epair equal epair
variable emol equal emol
variable etot equal etotal
fix state_out all ave/time 1 {thint} {thint} v_eps v_temp v_epair v_emol v_etot v_pxx v_pyy v_pzz v_pxy v_pxz v_pyz ave one file …/svouts/sv_10.out
thermo ${thint}
thermo_modify flush yes
thermo_style custom step v_eps v_temp epair emol etotal v_pxx v_pyy v_pzz
restart 100000 restart.15 restart.16
run ${Trem}