Read Data Error

General Discussion
1

Hi, I tried to use the LAMMPS input file generator but am having issues with trying to run the program. I was wondering if you guys could tell me what I’m doing wrong.

Here is what my input looks like:

Screenshot 2021-07-11 154126
Screenshot 2021-07-11 1541261399×685 24.6 KB

and the error message I am getting says:
ERROR: Cannot open file bipyd_monomer.lmpdat: No such file or directory (src/read_data.cpp:312)
Last command: read_data bipyd_monomer.lmpdat

The data file was created as per the instructions on LAMMPS input for water - Avogadro

I wasn’t sure where to ask for help so I figured I would start with this forum. Thank you for any help!

2

Part of the instructions say to save the lmpdat file (eg., molecule, water cluster, etc.)

The input should mention the name of the coordinate file. If it doesn’t exist (or the name is different than specified bipod_monomer.lmpdat here) you’ll have an error from LAMMPS.

4

I’m not entirely sure, since the .lmpdat file says it’s a Chemical Markup file, but assuming it’s correct, that looks okay. I’d ask on the LAMMPS forum at this point:

(Certainly if there’s something on the Avogadro side, please let us know. I’m not much of a LAMMPS user, so it’s not something I can help with.)