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}