LAMMPS (30 Jul 2021)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
using 1 OpenMP thread(s) per MPI task
Created triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0924800 3.0951200 3.0647100) with tilt (-0.0096726100 -0.082887700 -0.030506600)
1 by 1 by 1 MPI processor grid
Scanning dump file ...
Reading snapshot from dump file ...
triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0924800 3.0951200 3.0647100) with tilt (-0.0096726100 -0.082887700 -0.030506600)
0 atoms before read
2 atoms in snapshot
0 atoms purged
0 atoms replaced
0 atoms trimmed
2 atoms added
2 atoms after read
2 atoms in group all
Changing box ...
triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0924800 3.0951200 3.0647100) with tilt (-0.0096726100 -0.082887700 -0.030506600)
triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0924800 3.0951200 3.0647100) with tilt (-0.0096726100 -0.082887700 -0.030506600)
triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0924800 3.0951200 3.0647100) with tilt (-0.0096726100 -0.082887700 -0.030506600)
triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0924800 3.0951200 3.0647100) with tilt (-0.0096726100 -0.082887700 -0.030506600)
triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0924800 3.0951200 3.0647100) with tilt (-0.0096726100 -0.082887700 -0.030506600)
triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0924800 3.0951200 3.0647100) with tilt (-0.0096726100 -0.082887700 -0.030506600)
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_883726743759_001#item-citation
The log file lists these citations in BibTeX format.
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
Neighbor list info ...
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 4000, page size: 100000
master list distance cutoff = 7.24
ghost atom cutoff = 7.24
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair kim, perpetual
attributes: full, newton off, cut 7.24
pair build: full/nsq
stencil: none
bin: none
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.101 | 5.101 | 5.101 Mbytes
v_pe_metal
-7.8178492
Loop time of 3.626e-06 on 1 procs for 0 steps with 2 atoms
55.2% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0 | 0 | 0 | 0.0 | 0.00
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0 | 0 | 0 | 0.0 | 0.00
Output | 0 | 0 | 0 | 0.0 | 0.00
Modify | 0 | 0 | 0 | 0.0 | 0.00
Other | | 3.626e-06 | | |100.00
Nlocal: 2.00000 ave 2 max 2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 339.000 ave 339 max 339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0.00000 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 224.000 ave 224 max 224 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 224
Ave neighs/atom = 112.00000
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00