Error read_data 747

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1

Dear all,

I started the LAMMPS just a few days ago. Currently, I am applying DL_POLY.

I prepared the required files to run LAMMPS. But I got an error as ERROR: Unknown identifier in data file: -15.000000 15.000000 xl0 xhi (…/read_data.cpp:747)

By the way, I wanna simulate a box with SPC/E Water and Carbon as the box wall material.(303030 box dimensions)

I would infinitely appreciated if anybody helps me to figure it out.

Please find the attached file and have a look at my data files.

atmdata.dat (732 KB)

input_script.lmp (1.32 KB)

2

Dear all,

I started the LAMMPS just a few days ago. Currently, I am applying DL_POLY.
I prepared the required files to run LAMMPS. But I got an error as ERROR:
Unknown identifier in data file: -15.000000 15.000000 xl0 xhi
(../read_data.cpp:747)

It should be xlo, instead of xl0.

Ray

3

Dear Ray,

Thank you very much for your quick reply. That was a silly mistake.

after that I got another error as follows

LAMMPS (22 Dec 2014)
Reading data file …
orthogonal box = (-15 -15 -15) to (15 15 15)
1 by 1 by 1 MPI processor grid
reading atoms …
4950 atoms
scanning bonds …
2 = max bonds/atom
scanning angles …
1 = max angles/atom
reading bonds …
3000 bonds
reading angles …
1500 angles
Finding 1-2 1-3 1-4 neighbors …
2 = max # of 1-2 neighbors
1 = max # of 1-3 neighbors
1 = max # of 1-4 neighbors
2 = max # of special neighbors
1500 atoms in group ox
3000 atoms in group hy
450 atoms in group ca
Setting atom values …
1500 settings made for charge
Setting atom values …
3000 settings made for charge
Setting atom values …
450 settings made for charge
ERROR: Could not find velocity group ID (…/velocity.cpp:68)

Even though , I determined velocity group in input_script.lmp for Oxygen and Hydrogen, but I do not know exactly why the error disclosed?

Please share your comments.

Thanks in advance

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4

Take this command “velocity 1 create 300.0 34387 rot yes dist gaussian # for Oxygen” for example, you missed the group id.

Please check the velocity doc page (http://lammps.sandia.gov/doc/velocity.html) for more info.

Ray

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