Dan,
It seems the problem is caused by the folloving line:
dump 1 all custom 2000 ./dumps/dump.droplet_liq_14_* tag mol type x y z vx vy
vz
You are trying to use 'mol' for atomic atom_style. But it is the molecule ID,
defined for molecular systems. Simply try to exclude 'mol' from the line.
Alexey.
Dan Lussier wrote:
Hi.
I am a fairly new user to LAMMPS and have just recently encountered an error
message when trying to run the code that I haven't been able to solve.Although the run appears to be going normally - at some point it stops and
has
the following error message in the terminal. The output below is a section
of
the screen output visible at the time.
======================================================
1800 93904 282.34632 0.58811012 -0.084414966 -4.7115292
rank 1 in job 5 fbg-0006_33761 caused collective abort of all ranks
exit status of rank 1: killed by signal 9======================================================
I've tried playing with some of the parameters of the input file but
continue to
get a similar result.
I am running on a dual Xeon workstation under Linux. I have appended my
input
file below as well.
Any input would be appreciated.
Thanks!
Dan Lussier
======================================================
input filelog ./logs/log.lammps_14
units lj
dimension 3
boundary p p patom_style atomic
neighbor 1.0 bin
neigh_modify delay 3# create geometry
lattice fcc 0.75
region sim_box block 0 30 0 100 0 30
region liq_init block 0 30 0 25 0 30
region drop_init sphere 15 65 15 5processors 1 1 2
create_box 1 sim_box
create_atoms 1 liq_init
create_atoms 1 drop_initmass 1 39.95
# LJ potentials
pair_style lj/cut 2.0
pair_coeff * * 1.0 1.0 2.0# initial velocities
temperature particles all full units box
velocity all create 1.0 482748 temp particles
fix 1 all nve# Minimization
minimize 1.0e-7 30000 150000
# Run
timestep 0.003
thermo_style custom step atoms cpu temp press pe
thermo 200
thermo_modify temp particlesdump 1 all custom 2000 ./dumps/dump.droplet_liq_14_* tag mol type
x y z vx vy vz