Dear LAMMPS community,
I am writing this email after doing my basic research in google and lammps mail archive.
I was trying to simulate a simple LJ fluid system in a box of 1 nm3.
getting the following error
C:\Program Files (x86)\LAMMPS 32-bit 20151019\bin>lmp_serial.exe -in NVTtest.in
LAMMPS (5 Oct 2015-ICMS)
WARNING: OMP_NUM_THREADS environment is not set. (…/comm.cpp:90)
using 1 OpenMP thread(s) per MPI task
Reading data file …
orthogonal box = (0 0 0) to (1 1 1)
1 by 1 by 1 MPI processor grid
ERROR: Unexpected end of data file (…/read_data.cpp:1516)
Attached the input and data files with this mail
Also copying and pasting below, in case attachments are inaccessible.
Any help would be kindly appreciated.
regards,
Jesus Joseph.
#LAMMPS input file for NVT of LJ
units metal
boundary p p p
atom_style full
pair_style lj/sf 1.1
read_data lammps.dat
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
pair_coeff 1 1 0.65 0.34 1.1
timestep 0.005
fix 3 all nvt temp 90.0 90.0 90.0
log logfile.res
thermo 100
thermo_style custom step temp pe etotal press
thermo_modify flush yes
thermo_modify norm yes
dump 1 all xtc 100 traj.xtc
run 5000
#data file starts from below line
LAMMPS input data file witten by Jesus
21 atoms
0 1.000000 xlo xhi
0 1.000000 ylo yhi
0 1.000000 zlo zhi
Masses
1 39.948000
Atoms
1 1 1 0 0.001 0.001 0.001
2 2 1 0 0.334 0.001 0.001
3 3 1 0 0.668 0.001 0.001
4 4 1 0 0.001 0.334 0.001
5 5 1 0 0.334 0.334 0.001
6 6 1 0 0.668 0.334 0.001
7 7 1 0 0.001 0.668 0.001
8 8 1 0 0.334 0.668 0.001
9 9 1 0 0.668 0.668 0.001
10 10 1 0 0.001 0.001 0.334
11 11 1 0 0.334 0.001 0.334
12 12 1 0 0.668 0.001 0.334
13 13 1 0 0.001 0.334 0.334
14 14 1 0 0.334 0.334 0.334
15 15 1 0 0.668 0.334 0.334
16 16 1 0 0.001 0.668 0.334
17 17 1 0 0.334 0.668 0.334
18 18 1 0 0.668 0.668 0.334
19 19 1 0 0.001 0.001 0.668
20 20 1 0 0.334 0.001 0.668
21 21 1 0 0.668 0.001 0.668
lammps.dat (742 Bytes)
NVTtest.in (459 Bytes)