Hello, sir. I have a problem when I calculate the pressure from 40 GPa to 80 GPa in the ‘FeTiNiCrCo’ alloys. I get the following error:
ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (…/npair_half_bin_atomonly_newton.cpp:114).
Last command: run.
Please help me run this and explain this problem.
You need to look at the doc page for “neigh_modify” and increase the “one” parameter: neigh_modify command — LAMMPS documentation.
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Hello Sir,
I am a new PhD student working on metallic glasses, and I use LAMMPS. I have a problem when calculating the pressure between 40 GPa and 80 GPa in the alloy “FeTiNiCrCo.” I get the following error:
ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (…/npair_half_bin_atomonly_newton.cpp:114)
Last command: run
Please help me to resolve this issue and explain the problem.
I wrote the following in my script:
neighbor 0.3 bin
neigh_modify every 20 delay 0 check yes
Is this script correct ?
The solution to the error you are facing was given by @stamoor. First
then:
Sir @simongravelle for Exampls this:
neigh_modify every 20 delay 0 check yes one 30000
You tell me. Did you get rid of the error ?
Here is are two important notes about learning from other people in public places.
Your approach of either posting the same question in as many places as possible until somebody is annoyed enough to react is not going to work well, since it does not show that you are actually investing effort to understand and solve the problem by yourself. You may get somebody try to help you out of pity, but not because you deserve it and that will sooner or later have you ignored or - worse - blocked from those forums. Sending personal emails make things matters even worse. Remember that all good mail programs have filters that can be configured send stuff to trash before the recipient even sees it. Same, people can choose to ignore people in a Discourse based forum like this one.
Your approach of trying random(?) changes until somebody tells you that is correct or not is riddled with the same kind of problem. It won’t help you to understand why you are getting an error message and thus you won’t learn from making that change. Maybe you should discuss more with your adviser to tutor about how to be a productive and effective scientist. As a preparation, you may want to read about the scientific method and how knowledge can be acquired in science.
- So why do you want to change the neighbor list “every” setting (default is 1)?
- The “delay 0” settings is actually the default, and so it “every yes”, so why do you think you need to specify those?
- What is the “one 30000” change going to achieve and why do you need is (and don’t tell us to make the error go away, but rather tell us why does the error has to happen in the first place.)
Please also note that choosing the correct forum is important to get an answer. Your posts on YouTube were completely inappropriate and unrelated to the videos posted (thus they were flat out removed) and this post also was incorrectly posted to the “Materials Project” category. If it wasn’t for the generosity of the MP admin, that re-categorized your post, it would have sit there forever and ignored by people that know very little about how to answer your question.
Finally, that very same error has been posted and suggestions been given many times in this list (and we have about 20 years of history messages from the lammps-users mailing list imported here, so they can be searched). I am very much wondering, why you have not searched for them and try to figure things out for yourself.
Bottom line, I seriously hope that you are taking some hint from the suggestions that people are making and become better at solving problems. Otherwise, I will predict that your career as a scientist will be a painful one, then you are not likely to get much help without demonstrating, that you have done the best that can be expected from somebody in your status.