Query

Hello Dear Users,

I am trying to run this file in LAMMPS, the main focus is to make the dump file and unfortunately it’s not making the dump file.
Can anybody help, I am stuck

Regards,
Umer

And hello to you, too.

I am trying to answer this e-mail in a more helpful way, but unfortunately I cannot read minds (neither of people nor of computers) and you are not providing any useful information.

So all that is left is to point out the obvious and remind you, that how to create dump files is explained in great detail in the LAMMPS manual, and that there are plenty of examples in the LAMMPS distribution, in most cases those example inputs have commented out dump command lines and thus you just need to uncomment them to enable them and see how they work.

axel.

Dear Axel,
This is my input file and I am still getting the output, but unfortunately, it’s not creating the dump file.
I need to post-process this file in Ovito and after I run this file it gives the output but without a dump file.

variable x index 1

variable y index 1

variable z index 1

variable xx equal 20*$x

variable yy equal 20*$y

variable zz equal 20*$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 1 all nve

run 100

dump 1 all custom 100 dump.lennardjones.* id type x y z

Regards,
Umer

Please reread the manual and study the examples and you will realize your mistake.
Your input behaves as documented and to be expected.

Put the “dump 1 all custom 100 dump.lennardjones.* id type x y z” BEFORE the “run 100”, you will be able to obtain the dump file. Thanks!

Thank you so much Jiaqi, I hope this work.

Regards,
Umer