LIGGGHTS® - User Forum

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

segmentation fault

Submitted by tjleps on Thu, 02/20/2020 - 23:10

We seem to have developed a segmentation fault on our CENTOS 8 system. Everything was working fine, then all of a sudden we started getting seg faults on our scripts. I've tried downloading a fresh copy of LIGGGHTS and recompiling with $make auto, and I've reinstalled openmpi and openmpi-devel, but we're still getting the same faults. I'm unable to even run the examples. Has anyone had a similar problem?

output from running cohesion :

computing clusters

Submitted by driley on Wed, 02/12/2020 - 07:17

I am using the compute cluster/atom with a distance of 10 times the radius of my atoms. However, I am getting an error because my cluster/atom cutoff is longer than my pairwise cutoff distance.

I have two questions:
1) How do I increase the pairwise cutoff distance?

2) Will I run into potential errors by increasing the pairwise cutoff distance to a much larger value?

dump total force on particle

Submitted by Rahul Kumar on Sat, 02/08/2020 - 11:22

Dear all
I am using the following command to dump the particle information. I am interested total force acting on the particle including weight of particle and all interaction forces. For this I am using the following command.

------------------
dump dmp all custom/vtk ${nstep} post/two_wall/particle_*.vtk id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius
----------------

The above command dumps the value of forces as zero for most of the time. I am NOT sure about what LIGGGHTS is dumping as fx fy fz

Force on wall

Submitted by Rahul Kumar on Mon, 02/03/2020 - 05:42

Dear all,
I am doing triaxial test and I want to know average force on the wall. The average force must be result of vector addition. For this I am using the following command.

------------------------------------------------
fix force1 all ave/time 1 1000 1000 f_twall_servo[1] f_twall_servo[2] f_twall_servo[3] file graph_run2/force_twall.dat mode vector
----------------------------------------------------

But it is giving me an error:

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