LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
variable  A string bulkNi

boundary        p p p

units		metal
timestep	0.001

lattice         fcc 3.52
Lattice spacing in x,y,z = 3.52 3.52 3.52
region          box block 0 20 0 20 0 20
create_box      1 box
Created orthogonal box = (0 0 0) to (70.4 70.4 70.4)
  1 by 2 by 2 MPI processor grid
create_atoms    1 box
Created 32000 atoms
  Time spent = 0.0010488 secs

pair_style      none
mass            * 58.71
atom_modify     sort 0 0

compute         XRD all xrd  1.541838 Ni 2Theta 40 80 c 2 2 2 LP 1 echo

compute         SAED all saed 0.0251  Ni Kmax 0.85                 Zone 0 0 0 c 0.025 0.025 0.025                 dR_Ewald 0.01 echo manual

fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2]                 mode vector file $A.hist.xrd
fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2]                 mode vector file bulkNi.hist.xrd

fix             2 all saed/vtk 1 1 1 c_SAED file $A_001.saed
fix             2 all saed/vtk 1 1 1 c_SAED file bulkNi_001.saed

#dump            1 all custom 1 $A.dump id x y z
run             0
Per MPI rank memory allocation (min/avg/max) = 16.08 | 16.08 | 16.08 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0            0            0            0            0 
Loop time of 1.84774e-06 on 4 procs for 0 steps with 32000 atoms

162.4% CPU use with 4 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   |            | 1.848e-06  |            |       |100.00

Nlocal:    8000 ave 8000 max 8000 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    1041 ave 1041 max 1041 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 0
Ave neighs/atom = 0
Neighbor list builds = 0
Dangerous builds = 0

unfix           1
unfix           2
uncompute       XRD
uncompute       SAED

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:54
