Unknown identifier in data file

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1

Hi, everyone,

I’m having trouble with submitting a LAMMPS minimization calculation. I keep getting the error, “Unknown identifier in data file.” It occurs in the second line of the Angles section (2 4 2 1 47), and I am not sure what is causing this. I’ve checked the format countless times and I know I must be missing something really stupid. I was wondering if someone might be able to help me narrow down what is causing this problem. My input files are attached.

Thanks.

tips1.data (55.1 KB)

tips1.in (512 Bytes)

2

Hi,

I have found one instant of problems (mistake ) angle id’s in your Angle section of data file. The first column is line-number.

1541 695 8 336 337 340
1542 701 9 337 338 380
1543 702 10 341 338 342
1544 703 2 341 338 380
1545 704 2 342 338 380

Best,

3

Topotools was complaining about something bad in the "Bonds" section
of your data file:
      parsing LAMMPS Bonds section.
      expected integer but got ""
You do seem to have the correct (or at least, consistent) number of
bonds in your file.

repair_attempt.jpg

repair_attempt.data (54.9 KB)