Comments (1)
pierrehirel
commented on June 26, 2024
Sir,
A simple "hello" when starting a discussion is always appreciated.
As you can see from your log file, LAMMPS reads perfectly the data file:
read_data 1525727.lmp
orthogonal box = (0 0 0) to (32.49 32.49 25.78)
1 by 1 by 1 MPI processor grid
reading atoms ...
1500 atoms
The error message is not related to the input data file. The error message is: "All pair coeffs are not set", and it is produced by the module "pair.cpp". This is a clear indication that the error comes from your definition of the potential parameters, apparently because you have no "pair_coeff" line.
If you had typed the error message in Google, you would have found multiple threads in the LAMMPS forum discussing this type of error.
Since this discussion is unrelated to Atomsk I close this thread. I recommend that you ask your questions to the LAMMPS community.
Regards
from atomsk.
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from atomsk.