[lammps-users] unexpected end of data file

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1

Dear Lammps users,

I am receiving the unexpected end of data file error while running my input script.
I have used atom style full and hybrid/overlay pair style:

pair_style hybrid/overlay lj/cut 2.5 morse 3.0
pair_coeff 1 1 lj/cut 0.0 0.10 2.5
pair_coeff 1 2 morse 0.0 0.30 3.
pair_coeff 1 3 lj/cut 0.1 0.10 2.5
pair_coeff 2 2 lj/cut 0.0 0.10 2.5
pair_coeff 2 3 morse 0.1 3.0 3.
pair_coeff 3 3 lj/cut 0.10 1.0 2.5

I referred the following mailing list response from Axel and Steve:

https://lammps.sandia.gov/threads/msg79177.html

https://lammps.sandia.gov/threads/msg26073.html.

For the atom style format “full”, i have written the specified format in the " Atoms" section. But still it shows the " unexpected end of file error".

Is the pair style hybrid/overlay causing the problem?. Any suggestions to fix this issue?

I have attached my datafile and the screenshot of the error message.

dataconfiguration2.LAMMPS (34.7 KB)

endoffileerror.png
endoffileerror.png1600×900 235 KB

2

There is no problem reading the attached file with the latest patch version (14 May 2021)
with a minimal input.

atom_style full
units real
read_data dataconfiguration2.LAMMPS

it kinds of looks odd, though.

cylinder.jpg
cylinder.jpg672×1026 36.5 KB

3

Yes axel. It looks different as the data was generated using python notebook,

and then imported in the LAMMPS input script. I have attached the image
that I have obtained in python. Its not fitting in the box dimension at all
after importing in LAMMPS and looks completely different.

pythonimage.jpg
pythonimage.jpg1600×900 218 KB

4

that means somehow you didn’t write out a correctly formatted data file

5

I have attached the python script here axel
with the generated data

cylindera12.py (5.61 KB)

dataconfiguration2.LAMMPS (34.7 KB)

6

sorry, I don’t have the time to debug your python programming.

7

No problem, I understand. I will rewrite the format as you have suggested
thank you