Hi there! I'm a physics engineering student student working on a materials science project, and I'm currently running a simulation using LAMMPS. However, I've encountered an issue with the error message "ERROR: Lost atoms: original 182322 current 181371 (../thermo.cpp:438) Last command: run 10000" when running the script. My goal is to simulate the collision of a Cu nanoparticle with a Ni surface under normal conditions. I have attached the input file for reference.
The problem seems to be related to the "velocity nickel create 100.0 12345 dist gaussian" command line. When I include this line in the script, the program gives me the error. However, if I remove that line, the code works perfectly, but I lost information.
I want to resolve this issue to make the simulation more realistic.
Could you please help me with this? I'm eager to improve the accuracy of the simulation. Thank you!
Ive forgot to mention, the first image is the first dump file image, and the second is the last one, then the program drops me the error
The error message "ERROR: Lost atoms: original 182322 current 181371" typically indicates that the simulation has lost some atoms during the dynamics run. This can happen if the simulation parameters are not optimized for the specific system being simulated, or if there are errors in the input files.
To resolve this error, you can try the following steps:
1. Check the initial configuration: Ensure that the initial configuration of the system is reasonable and does not contain any overlapping atoms or other errors. Use a visualization software to inspect the initial configuration.
2. Increase simulation time: If the simulation has not run for a sufficient amount of time, try increasing the simulation time and see if the error persists. This may allow the system to relax and stabilize.
3. Adjust simulation parameters: Try adjusting the simulation parameters such as time step, temperature, pressure, and cutoff distances. These parameters can have a significant effect on the stability of the simulation.
4. Use a different force field: Try using a different force field or parameter set for the simulation. Different force fields may be better suited for different types of systems.
5. Check input files: Ensure that all input files are correctly formatted and contain the correct information. Check for errors in the topology file, coordinate file, and any other input files used in the simulation.
If none of the above steps resolve the error, it may be necessary to further investigate the cause of the error or consult with a simulation expert.
Hope it helps!!
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Hi Lucas Valdivia , you could check two things to make a first step towards solving this problem. Essentially your dynamics are too violent leading to the loss in atoms while message-passing.
1. Run an energy minimization on the initial configuration: "min_style cg; minimize 0 0 10000 10000"
2. Your timestep might be too large leading to unable evolution of the dynamics. You probably need a much smaller timestep in case you still have issues after implementing solution 1.
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