Dear everyone,
when i ran my input file in which data file was used, something wrong appeared as below.
"Cannot use neighbor bins - box size << cutoff ". i don’t know what kind of problem it is. and how to fix it ? thank you so much.
this is my input file:
"units metal
dimension 3
boundary p p p
atom_style atomic
read_data aaa.data
pair_style rebo
pair_coeff * * CH.airebo C C C
neighbor 2.0 bin
neigh_modify every 1 delay 0
dump 1 all cfg 250 ac_graphene.*.cfg id type xs ys zs
run 0"
and this is part of the data file
"# LAMMPS data file written by OVITO
3979 atoms
3 atom types
3.9000002 104.8000031 xlo xhi
-90.75 10.0999985 ylo yhi
1.5 4.9000002 zlo zhi
1 gra
2 lbo
3 rbo
Masses
1 12.010700 # gra
2 12.010700 # lbo
3 12.010700 # rbo
Atoms
1 2 3.9300002 9.3699999 3.2000001"
thank you so much again~
Dear everyone,
when i ran my input file in which data file was used, something
wrong appeared as below.
"Cannot use neighbor bins - box size << cutoff ". i don't know what kind of
problem it is. and how to fix it ? thank you so much.
are you using the latest version of LAMMPS?
axel.
yes the version my lammps is Mar. 2015 for windows OS
发自网易邮箱手机版
在2015年06月23日 21:12 ，Axel Kohlmeyer写道：
yes the version my lammps is Mar. 2015 for windows OS
??? march 2015 is *not* the latest version. 15 May 2015 is, and the
last windows installer on http://rpm.lammps.org/windows.html has been
built on june 16th 2015 from the latest LAMMPS-ICMS version which
contains additional bugfixes and enhancements.
in any case, either you are not providing the right data or whatever
problem you have has been solved since, since i cannot reproduce the
error message that you claim you are getting with the information that
you provide when i use the latest version of LAMMPS-ICMS.
axel.
and *please* turn off that stupid auto-responder for your e-mails
confirming that you received them. for posts to mailing lists, this is
pointless, hugely annoying and produces needless clutter in people's
inboxes.
thanks,
axel.
“Cannot use neighbor bins - box size << cutoff”
Too many neighbor bins will be created. This typically happens when the simulation box is very small in some dimension, compared to the neighbor cutoff. Use the “nsq” style instead of “bin” style. and the “nsq” style can give the same answers as the “bin” style does.
“Cannot use neighbor bins - box size << cutoff”
Too many neighbor bins will be created. This typically happens when the
simulation box is very small in some dimension, compared to the neighbor
cutoff. Use the "nsq" style instead of "bin" style. and the "nsq" style can
give the same answers as the "bin" style does.
You can use tools like OVITO or XENOVIEW or topotools or moltemplate
or EMC to create a LAMMPS DATA file, but it may be necessary to make a
few small modifications afterwards.
In your case, the Boundary section (near the beginning of the DATA
file) looks suspicious. In particular, I notice that your system is
very shallow in the Z direction:
3.9000002 104.8000031 xlo xhi
-90.75 10.0999985 ylo yhi
1.5 4.9000002 zlo zhi
Is there a reason your boundary box needs to be that thin?
Try editing the DATA file and increase the distance between zlo and zhi.
Cheers