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

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}

I think you are best off contacting the UEF package developer(s) with questions like this. You should find some contact info in the source code or a README file in the package folder.

Sure and thank you

[quote=“prisi, post:1, topic:44197”]
fix state_out all ave/time 1 {thint} thint{thint} {thint} v_eps v_temp v

Hi Priya - have you figured it out?

Hi Khalid,

Not yet,
Would you like to suggest something.


Hi Priya - could not find your email. I hope I am giving you the correct info: perhaps you can connect w/ the Rutledge group (GitHub - RutledgeGroupMIT/UEF: LAMMPS package for extensional flow fields) I think they have either developed the UEF package or a variant. Best wishes, Khalid

Thank you Kalid

Hi Khalid,

I contacted UEF package developer , but did not receive any responds.My issue is when I am running extension using a restart file I get a below error:
“Initial box is not close enough to the expected uef box”

Do you know more details on this?