[lammps-users] unknown - error message (Dan Lussier)


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

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.


Dan Lussier wrote:


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


the following error message in the terminal. The output below is a section


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


file below as well.

Any input would be appreciated.


Dan Lussier

input file

log ./logs/log.lammps_14

units lj
dimension 3
boundary p p p

atom_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 5

processors 1 1 2

create_box 1 sim_box

create_atoms 1 liq_init
create_atoms 1 drop_init

mass 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 particles

dump 1 all custom 2000 ./dumps/dump.droplet_liq_14_* tag mol type

x y z vx vy vz