LAMMPS (24 Oct 2018)
Reading data file ...
orthogonal box = (-25 -25 -25) to (25 25 25)
1 by 1 by 1 MPI processor grid
reading atoms ...
6 atoms
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:168)
Neighbor list info ...
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 20.5307
ghost atom cutoff = 20.5307
binsize = 10.2653, bins = 5 5 5
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair kim, perpetual
attributes: full, newton off, cut 20.5307
pair build: full/bin/atomonly
stencil: full/bin/3d
bin: standard
Setting up cg style minimization ...
Unit style : metal
Current step : 0
Per MPI rank memory allocation (min/avg/max) = 5.162 | 5.162 | 5.162 Mbytes
PotEng
-25.893166
-39.006789
Loop time of 0.000689983 on 1 procs for 25 steps with 6 atoms
20.0% CPU use with 1 MPI tasks x no OpenMP threads
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-25.8931658264 -39.0067593374 -39.0067893211
Force two-norm initial, final = 20.1935 0.0515283
Force max component initial, final = 7.87691 0.026985
Final line search alpha, max atom move = 1 0.026985
Iterations, force evaluations = 25 42
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.00011873 | 0.00011873 | 0.00011873 | 0.0 | 17.21
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 | 0.0 | 0.86
Output | 0.00051141 | 0.00051141 | 0.00051141 | 0.0 | 74.12
Modify | 0 | 0 | 0 | 0.0 | 0.00
Other | | 5.388e-05 | | | 7.81
Nlocal: 6 ave 6 max 6 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 30 ave 30 max 30 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 30
Ave neighs/atom = 5
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00