LIGGGHTS® - User Forum

LIGGGHTS® related topics can be discussed here: discussion about models, installation, feature requests and general discussion

Dumping out a per-atom array defined by fix property/atom

Submitted by leaso on Mon, 01/05/2015 - 02:06

Dear LIGGGHTS users,

I have a simple problem related to dump custom command.
I have defined a per-atom vector which has 12 elements. I perform some calculations on this vector and want to dump it out, however I get the following error.

"Dump custom fix ID does not compute per-atom vector"

This is the input script commands I use:

fix LB all property/atom LB vector yes no no -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
dump dmp all custom ${nDump} dump.${OutName} id type f_LB[1] ....f_LB[12]

Convert dump/local to VTK

Submitted by NTT1508 on Fri, 01/02/2015 - 00:31

Dear all,

Happy new year 2015 to all members,

To start a new year, I would like to be clarified concerning a solution to convert dump/local output to VTK file. Looking into several discussions in terms of this issue, I am enable to have EVTK and dump2forcenew.py ( or dump2force.py by Mark Bentley) routine however the running come out with error:

File "...LIGGGHTS/mylpp/src/dump2forcenew.py", line 74, in
if forcedata.snaps[fileindex].natoms !=0 and len(forcedata.snaps[0].atoms[0]) != 11:
IndexError: list index out of range

About using dynamic load balancing (fix balance) in LIGGHTS-benchmark

Submitted by dbxmcf on Wed, 12/31/2014 - 18:00

Hi, All:

I was trying to use the dynamic load balancing of LIGGHTS to minimize the computational time. I found the following document: http://cfdem.dcs-computing.com/media/DEM/benchmarks/LIGGGHTS_Benchmarks.pdf, the LIGGGHTS version I am using is: Version LIGGGHTS-PUBLIC 3.0.6

However if I try to use the load balancing command (e.g. in page 43 of the document) :

fix lb all balance 0 xyz 10 1.1 out balance.txt

The program prompts the error:

How to use multiprocessing in Liggghts 3.0.6

Submitted by ural on Tue, 12/23/2014 - 12:30

Hello, can you give me any info about how to use multiprocessing in Liggghts 3.0.6? i mean, usually in 3.0.2 i was using mpirun for 4 my procs and it worked well! and after the installation of the new version, it does not work anymore... is something changed? Thanks for your answers!

number of contact

Submitted by abdulrahmanalharbi on Mon, 12/22/2014 - 21:09

Dear all,

I am simulating two spheres (sphere1 and sphere2) which are dropped in rotating cylinder.

I'm looking for a command that give me the total number of interaction that sphere1 participates(total number of interact with wall and with sphere 2) .

I tried the commands (compute wall/gran/local id …..and pair/gran/local id and then dump local), but I got the IDs of particles in contact at each timesteps.However I am looking for the total number of interactions.

Thank you in advance.

Best,

Abdul

multiphere particles

Submitted by ranius on Mon, 12/22/2014 - 11:55

Hello everyone,

I'm trying to pack rashig rings to create a packed bed reactor.
I don't know from where I have to start. I have an STL of the ring, I think I have to create a clump of that shape and then use the multisphere particle template. Is it right?
I'm not able to create the dump file from the STL, can anyone help me?

Any hint or suggestion is very helpful

Thanks

Problem about contactArea

Submitted by 374390895 on Sat, 12/20/2014 - 08:09

Hi,guys

I want to calculate the average contactarea between particles,below is my command:

compute area particle pair/gran/local contactArea
variable avearea equal ave(c_area)
thermo_style custom step atoms ke v_avearea

but, it pointed out that mismatched compute in variable formula.........

I don't know why , who can tell me ?

thanks

change a variable through run

Submitted by JoshuaP on Fri, 12/19/2014 - 12:10

hi,

if I use the command

variable zero equal 0
variable an equal -0.1
fix movement all move/mesh mesh mole linear/variable v_zero v_zero v_an
run 10000

and try to change now the vertical velocity to

variable an equal -10

the velocity to the mesh is set positiv doesnt mind if I set it to 10 or -10.
To test it just create a mesh and do

variable zero equal 0
variable an equal -0.1
fix movement all move/mesh mesh mole linear/variable v_zero v_zero v_an
run 10000
variable an equal -10

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