LIGGGHTS® - User Forum

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

compute pressure & compute temp vs. compute stress/atom & compute reduce

PaulWinkler's picture
Submitted by PaulWinkler on Tue, 07/30/2013 - 22:36

Hi,

I need the average pressure between the particles. I tried two ways with exact the same results. compute pressure for all atoms using the temperature from a compute temp and compute stress/atom for every single particle and sum these with compute reduce. What would be faster? Is there a difference in speed between compute reduce sum and the variable sum() command?

Regards,

Paul

Run simulation until special event occurs

PaulWinkler's picture
Submitted by PaulWinkler on Tue, 07/30/2013 - 22:22

Hi,

I want to generate a dense packing with fix insert/pack and particle growing. This is very common and no problem with fix adapt. The growing ends when the particles have a reached a given pressure. The pressure is calculated by compute pressure. Since I have a lot of particles and slightly CPU I wonder if there is something new in interrupting a run when a special event occurs to save CPU time? Or is run N every n, check with if and going on else dump results and quit still the preferred solution?

Regards,

Paul

Missing Storage Values

Submitted by andriodr on Mon, 07/29/2013 - 21:56

I am using LIGGGHTS on a bluegene/p cluster and when I attempt to run a simulation I get an error that reads:

Could not locate a fix/property storing value(s) for youngsModulus as requested by gran/hooke. (modify_liggghts.cpp:247)

I checked with the sysadmin and he has told me that there is nothing wrong with the installation. I have version 2.3.5 installed. Any help or direction at all would be greatly appreciated.

Adhesion between particles and walls

Submitted by RocheDEM on Sat, 07/27/2013 - 18:08

Hi,

I am wondering how the adhesion between the particles and the wall is treated. I have set up my simulation with 3 different types, 1 is the particles, 2 is the walls, and 3 is for a no friction/no adhesion symmetry plane. I have specified the cohesion as:

fix m6 all property/global cohesionEnergyDensity peratomtypepair 3 &
1000000 1000000 0000001 &
1000000 0000001 0000001 &
0000001 0000001 0000001

How to include the potential energy in the granular simulation

Submitted by lin on Fri, 07/26/2013 - 11:18

I am using the sphere type for the granular simulation, how could I include the potential force in the simulation? I tired us the Pair_style hybrid gran/hertz/history lj/cut 2.5. But I get an error message” pair hybrid sub-style is not used”. Can someone help me out? thanks in advance

Cohesion

Submitted by RocheDEM on Wed, 07/24/2013 - 18:57

I typically use the fix_nve integration (only updates position and linear velocity) for my granular simulations as this gives a good approximation of blocky (angular) material behaviour. I am wondering if the sjkr cohesion model can be used with this integrator or do I need to use fix_nve_sphere to get cohesion?

In the mean time, I am making a little test model.

Thank you,

Kirk

Wrong diameter in dump image [solved]

PaulWinkler's picture
Submitted by PaulWinkler on Mon, 07/22/2013 - 00:06

Hi,

playing around with the dump image command I came over a restiveness. I inserted some atoms in a lattice with create_atoms, and changed diameter to 0.2 by set command. Computes and dump local/custom are working like expected. The command dump image ignores diameter and uses 1.0, after dump_modify adiam it works as well. Is it because of using create_atom?

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