Hi,
I want to read a file ‘data.2d’ into lammps for initial configuration of atoms
lammps complains: Unknown identifier in data file
The data file is as follows:
22 atoms
1 atom types
0 40 xlo xhi
0 80 ylo yhi
0 0.2 zlo zhi
atoms
1.0000 1.0000 0.1951 1.0000 7.081 42.3880 0.1000
2.0000 1.0000 0.2080 1.0000 3.5635 50.5076 0.1000
3.0000 1.0000 0.2166 1.0000 16.3636 51.9094 0.1000
4.0000 1.0000 0.1849 1.0000 19.6165 79.5574 0.1000
5.0000 1.0000 0.1838 1.0000 16.4385 12.7397 0.1000
6.0000 1.0000 0.2176 1.0000 13.8482 16.6397 0.1000
7.0000 1.0000 0.1968 1.0000 11.7111 29.3449 0.1000
8.0000 1.0000 0.1958 1.0000 11.1051 11.2286 0.1000
9.0000 1.0000 0.2106 1.0000 9.5350 67.8577 0.1000
10.0000 1.0000 0.2050 1.0000 2.4427 49.3243 0.1000
11.0000 1.0000 0.1924 1.0000 22.3446 77.4198 0.1000
12.0000 1.0000 0.2062 1.0000 3.1282 73.7800 0.1000
13.0000 1.0000 0.1870 1.0000 7.6369 11.6303 0.1000
14.0000 1.0000 0.1811 1.0000 7.1052 19.4047 0.1000
15.0000 1.0000 0.2175 1.0000 5.3223 63.0846 0.1000
16.0000 1.0000 0.2059 1.0000 30.2666 64.3516 0.1000
17.0000 1.0000 0.1926 1.0000 25.3519 17.4822 0.1000
18.0000 1.0000 0.2172 1.0000 26.5032 28.7991 0.1000
19.0000 1.0000 0.2103 1.0000 15.2705 55.7444 0.1000
20.0000 1.0000 0.2181 1.0000 28.0272 73.9100 0.1000
21.0000 1.0000 0.1975 1.0000 8.4948 64.4662 0.1000
22.0000 1.0000 0.1943 1.0000 2.8373 28.8644 0.1000
The atom_style defined in the input script is ‘sphere’ and dimension is 2d, z dimension is periodic .What could be the problem. Format?.
Please tell me the right format so that I can get my simulation running.
Regards
Amit
Hi,
I want to read a file 'data.2d' into lammps for initial configuration
of atoms
lammps complains: Unknown identifier in data file
which means, that your data file is incorrectly formatted.
The data file is as follows:
22 atoms
1 atom types
0 40 xlo xhi
0 80 ylo yhi
0 0.2 zlo zhi
atoms
1.0000 1.0000 0.1951 1.0000 7.081 42.3880 0.1000
2.0000 1.0000 0.2080 1.0000 3.5635 50.5076 0.1000
3.0000 1.0000 0.2166 1.0000 16.3636 51.9094 0.1000
4.0000 1.0000 0.1849 1.0000 19.6165 79.5574 0.1000
5.0000 1.0000 0.1838 1.0000 16.4385 12.7397 0.1000
6.0000 1.0000 0.2176 1.0000 13.8482 16.6397 0.1000
7.0000 1.0000 0.1968 1.0000 11.7111 29.3449 0.1000
8.0000 1.0000 0.1958 1.0000 11.1051 11.2286 0.1000
9.0000 1.0000 0.2106 1.0000 9.5350 67.8577 0.1000
10.0000 1.0000 0.2050 1.0000 2.4427 49.3243 0.1000
11.0000 1.0000 0.1924 1.0000 22.3446 77.4198 0.1000
12.0000 1.0000 0.2062 1.0000 3.1282 73.7800 0.1000
13.0000 1.0000 0.1870 1.0000 7.6369 11.6303 0.1000
14.0000 1.0000 0.1811 1.0000 7.1052 19.4047 0.1000
15.0000 1.0000 0.2175 1.0000 5.3223 63.0846 0.1000
16.0000 1.0000 0.2059 1.0000 30.2666 64.3516 0.1000
17.0000 1.0000 0.1926 1.0000 25.3519 17.4822 0.1000
18.0000 1.0000 0.2172 1.0000 26.5032 28.7991 0.1000
19.0000 1.0000 0.2103 1.0000 15.2705 55.7444 0.1000
20.0000 1.0000 0.2181 1.0000 28.0272 73.9100 0.1000
21.0000 1.0000 0.1975 1.0000 8.4948 64.4662 0.1000
22.0000 1.0000 0.1943 1.0000 2.8373 28.8644 0.1000
The atom_style defined in the input script is 'sphere' and dimension is
2d, z dimension is periodic .What could be the problem. Format?.
yes. you have wrong capitalization and floating point numbers where
there should be integers.
Please tell me the right format so that I can get my simulation
running.
the format of the data file is described in great detail in the
documentation of the read_data command.
axel.
Check the Lammps examples to see the way the data files have to be built. Also read the documentation.