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Re: [lammps-users] Question on fix balance with time weighting
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Re: [lammps-users] Question on fix balance with time weighting

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 25 Nov 2017 17:25:46 -0500

On Sat, Nov 25, 2017 at 3:57 PM, Yafan Yang <yafan.yang@...2117...43...> wrote:
Dear all,

I am trying to use fix balance with time weighting in parallel. I attach my input file below.

​two comments:

1) it is pretty much meaningless to try load balancing on a dense homogeneous system.
2) when using an old version of LAMMPS, you have to make certain to use the documentation bundled with that version. the online docs always reflect the very latest patch version of LAMMPS. for example, the weighting feature you are trying to use is not available in the 16Feb2016 version. it was added much later.

The input file runs well in serial. However, it gives the following error when I run it on cluster. I am using version 16Feb2016 of lammps. Many thanks for any help.

fix bala all balance 10 1.1 shift x 20 1.1 weight time 0.8
ERROR: Illegal fix balance command (../fix_balance.cpp:88)

The input file is:

# 3d Lennard-Jones melt

variable    x index 1
variable    y index 1
variable    z index 1

variable    xx equal 30*$x
variable    yy equal 30*$y
variable    zz equal 30*$z

units        lj
atom_style    atomic

lattice        fcc 0.8442
region        box block 0 ${xx} 0 ${yy} 0 ${zz}
create_box    1 box
create_atoms    1 box
mass        1 1.0

velocity    all create 1.44 87287 loop geom

pair_style    lj/cut 2.5
pair_coeff    1 1 1.0 1.0 2.5

neighbor    0.3 bin
neigh_modify    delay 0 every 20 check no

fix     bala all balance 10 1.1 shift x 20 1.1 weight time 0.8
fix        1 all nve

run        100

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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.