Hello all,
I am generating a txt file for the read_data command and I am getting an error that I just cannot figure out! If someone could be so kind as to take a look at this for me, it would be very much appreciated.
My input file is the following:
##
units si
atom_style hybrid granular molecular
boundary f f f
newton off
communicate single vel yes
read_data read_data.txt
mass * 1.0
###################################
# no boundaries for now...
fix 1 all gravity 9.81 vector 0.0 0.0 -1.0
fix 2 all rigid molecule
neigh_modify exclude molecule all
pair_style gran/hertz/history 1777777.78 2285714.29 0.5 0.0 0.5 1
pair_coeff * *
compute 1 all ke
thermo_style custom step atoms c_1
thermo 2500
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
timestep 0.000001
dump 1 all xyz 2500 trajectory.xyz
run 25000
The data file is attached.
What is strange is that if I truncate the data file to 100 atoms or so, it works, but in its complete form, it stops with an error.
Any help would be greatly appreciated!
Zamir
edit: data file now attached!
edit again: The error I get is the following:
ERROR: Did not assign all atoms correctly
| Attachment | Size |
|---|---|
 read_data.txt | 546.71 KB |
zamir | Sat, 06/16/2012 - 04:50
ah! I figured it out. I was
ah! I figured it out. I was creating a few atoms just beyond one of my box boundaries. Thanks to all who looked at my post. Later,Z
ckloss | Sat, 06/16/2012 - 11:06
Are you sure you are using
Are you sure you are using LIGGGHTS? Your syntax looks like you are using LAMMPS?
Cheers, Christoph
zamir | Sun, 06/17/2012 - 01:40
yeah, the input file was just
yeah, the input file was just jacked from another post on this forum, don't pay it any mind. However, I am attempting to perform a hybrid granular molecular simulation, it seems like the easiest way to model random bonded particles. I could not get the bonded particle model you posted last November in developer's forum to work with non-lattice atoms, so I am here now.
Thanks,
Zamir