Hi, i'm a physics student working in a project of materials science. I'm doing a simulation using LAMMPS.
In this case, i have a problem with the error Lost atoms: original 60536 current 56624 (../thermo.cpp:427) once i run the script. I'm trying to put a graphene sheet in a fix nvt 10 kelvin. But once the fix it's running, in 4 steps the velocity becomes irrational and I get the error.
Can you please guide me please? I'm new in all this.
Thank you for the help.
I agree with Zhe Wang
1 There may be a problem with the initial structure and needs to be remodeled
2. Problems with the self-writing potential function
Usually, this problem refers to the problem of interatomic potential used for the simulation
Hi Ricardo,
The error of lost atoms may be due to many different reasons such as:
- There is something wrong with your initial atomic configuration.
- There is something wrong with your energy minimization procedure.
- The timestep that you are using is too high. In your case, 0.01 ps seems very high. Try 0.001 ps instead and see what happens.
- For the cases that you are moving a group of atoms in your simulation (e.g., fix move command), or you are deforming the simulation cell (e.g., fix deform command), the velocity is too high.
Hope this helps.
Hi Ricardo,
As many have suggested and in my limited experience what I'd suggest is checking:
1) The minimization style. CG might be good in most cases but you could try the others too.
2) The timestep you have used for the prescribed velocity of your particles might be the key cause of this error, as it might lead to instability in the solution of the numerical system.
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