Neighbor list overflow, boost neigh_modify one

LAMMPS LAMMPS Mailing List Mirror
1

The error usually happens when you use fix bond/create command. This is because a bond induces 1-4 neighbours into the neighbour list. In your case it seems that it induces 1-3 special neighbours as well.

Try the following setting

neigh_modify delay 0 every 1 check yes page 500000 one 50000

Arun Srikanth

2

The error usually happens when you use fix bond/create command. This is
because a bond induces 1-4 neighbours into the neighbour list. In your case
it seems that it induces 1-3 special neighbours as well.

i disagree with this assessment. the most suspicious entry is the 10
angstrom neighbor list skin. that will blow up the neighbor list
massively. for real units a value of 2.0 or 2.5 should be sufficient.
remember that the number of neighbors grows cubic with rmax and rmax
is the largest cutoff plus neighbor list skin.

axel.

3

Dr. Axel,

I’ve tried with 2.0 and 2.5 skin and also different cutoff distances. But i am having same error.

Thanks,

Bevara

4

Dr. Axel,

I've tried with 2.0 and 2.5 skin and also different cutoff distances. But i
am having same error.

it may not be the only contributing factor. however, your input is
horribly complex and your descriptions are vague, so it ultimately
boils down to you either debugging it properly and narrowing down what
the problem is, or you can just follow the given advice and use larger
pages to be able to store all those unneeded neighbors.

axel.

5

Dr. Axel,

Thanks for your reply!

I’ve followed the all instructions given by manual while building my input script.

May I know which part made you feel its complex input, so that i can get an idea where I’m doing wrong.

Sorry for the inconvenience!

Thanks,

Bevara

6

Dr. Axel,

Thanks for your reply!

I've followed the all instructions given by manual while building my input
script.
May I know which part made you feel its complex input, so that i can get an
idea where I'm doing wrong.

it is complex because it is convoluted, difficult to read, tries to do
(too?) many things at the same time, in short complex.
you should spend some time with a book like this one:

http://www.nostarch.com/thinklikeaprogrammer