ERROR: Cannot zero momentum of no atoms (../velocity.cpp:744)

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1

ERROR: Cannot zero momentum of no atoms (…/velocity.cpp:744)

Last command: velocity mobile create 1 887723 temp new

Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.

mpiexec detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

Process name: [[30838,1],3]
Exit code: 1

My code:

crack simulation

dimension 3
units metal
boundary s s p
atom_style charge
neighbor 1.0 bin
neigh_modify delay 1 every 1 check yes
timestep 0.001

lattice custom 5.4054 &
a1 0.9095 0.0000 0.0000 &
a2 -0.4547 0.7876 0.0000 &
a3 0.0000 0.0000 1.0000 &
basis 0.4697 0.0000 0.0000 basis 0.0000 0.4697 0.6667 basis 0.5303 0.5303 0.3333 basis 0.4135 0.2669 0.1191 basis 0.2669 0.4135 0.5475 basis 0.7331 0.1466 0.7857 basis 0.5865 0.8534 0.2142 basis 0.8534 0.5865 0.4524 basis 0.1466 0.7331 0.8809

region simbox block 0 4 0 11 0 9 units lattice
create_box 2 simbox
create_atoms 1 box basis 1 1 basis 2 1 basis 3 1 basis 4 2 basis 5 2 basis 6 2 basis 7 2 basis 8 2 basis 9 2

group siliconatoms type 1
group oxygenatoms type 2
set group siliconatoms charge 2.4
set group oxygenatoms charge -1.2
#change_box all x scale 1.0636 y scale 1.0636 z scale 1.0636 remap

#atoms interations setting ##################################
#Si type 1, O type 2

mass 1 28.0855
mass 2 15.9994

region crack block 7 9 INF INF INF 30 units box
delete_atoms region crack

region 1 block 2 INF INF INF INF INF units box
group lower region 1
region 2 block INF 14 INF INF INF INF units box
group upper region 2
group boundary union lower upper
group mobile subtract all boundary

region lefter block INF 7 INF INF INF INF
region righter block 9 INF INF INF INF INF
region middle block 7 9 INF INF INF 30
group lefter region lefter
group righter region righter
group middle region middle

neighbor 2 bin
neigh_modify every 1 delay 0 check yes

#equilibrate temperature in NVT#####################################
#fix 4 all nve/limit 0.01

pair_style vashishta
pair_coeff * * SiO.1997.vashishta Si O

min_style cg
minimize 1e-15 1e-15 5000 5000

compute new mobile temp
velocity mobile create 1 887723 temp new

fix 1 all nvt temp 300.0 300.0 1.0
fix 2 boundary setforce 0.0 0.0 0.0

velocity lefter set 0.05 0.0 0.0 units box
velocity mobile ramp vz 0.0 0.05 z 4 40 sum yes units box

dump 1 all atom 1000 deform.xyz

run 500000

2

Before posting to the forum here, you should carefully read this post Please Read This First: Guidelines and Suggestions for posting LAMMPS questions

Creating a topic where there is no question, no explanation and just some quoted error message and some input file content that is difficult to read since it was not properly quoted, is not likely to get an answer. Also, it is very bad practice to post the same question twice.

The error message you quote is rather self explanatory. Apparently the group that you try to apply the velocity command on contains no atoms. That is something that you can easily debug on your own.

3

Thank you for your answer. First of all, I really don’t have enough knowledge about LAMMPS, which is why I asked this question. I hope to learn something. Secondly, I posted two times because the system has been experiencing bugs, resulting in the problem being posted twice.

5

You didn’t ask any question!

There have been no bugs with the forum.