LAMMPS (8 Apr 2021)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:94)
using 1 OpenMP thread(s) per MPI task
Created triclinic box = (0.0000000 0.0000000 0.0000000) to (5.3194500 5.4169500 5.4707400) with tilt (-0.0038333400 0.018984800 -0.11849100)
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 (5.3194500 5.4169500 5.4707400) with tilt (-0.0038333400 0.018984800 -0.11849100)
0 atoms before read
8 atoms in snapshot
0 atoms purged
0 atoms replaced
0 atoms trimmed
8 atoms added
8 atoms after read
8 atoms in group all
Changing box ...
triclinic box = (0.0000000 0.0000000 0.0000000) to (5.3194500 5.4169500 5.4707400) with tilt (-0.0038333400 0.018984800 -0.11849100)
triclinic box = (0.0000000 0.0000000 0.0000000) to (5.3194500 5.4169500 5.4707400) with tilt (-0.0038333400 0.018984800 -0.11849100)
triclinic box = (0.0000000 0.0000000 0.0000000) to (5.3194500 5.4169500 5.4707400) with tilt (-0.0038333400 0.018984800 -0.11849100)
triclinic box = (0.0000000 0.0000000 0.0000000) to (5.3194500 5.4169500 5.4707400) with tilt (-0.0038333400 0.018984800 -0.11849100)
triclinic box = (0.0000000 0.0000000 0.0000000) to (5.3194500 5.4169500 5.4707400) with tilt (-0.0038333400 0.018984800 -0.11849100)
triclinic box = (0.0000000 0.0000000 0.0000000) to (5.3194500 5.4169500 5.4707400) with tilt (-0.0038333400 0.018984800 -0.11849100)
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_517338295712_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 = 5.7404383
ghost atom cutoff = 5.7404383
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair kim, perpetual
attributes: full, newton off, cut 5.74043834
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) = 5.078 | 5.078 | 5.078 Mbytes
v_pe_metal
-22.68876
Loop time of 2.2e-06 on 1 procs for 0 steps with 8 atoms
45.5% 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 | | 2.2e-06 | | |100.00
Nlocal: 8.00000 ave 8 max 8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 272.000 ave 272 max 272 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: 288.000 ave 288 max 288 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 288
Ave neighs/atom = 36.000000
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00