git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14174 f3b2605a-c512-4ea7-a41b-209d697bcdaa

examples/USER/mgpt/log.bcc0

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+LAMMPS (23 Oct 2015)
+# script for mgpt t=0 eos in bulk bcc structure
+
+echo screen
+Lattice spacing in x,y,z = 6.24196 6.24196 6.24196
+Created orthogonal box = (0 0 0) to (31.2098 31.2098 31.2098)
+  1 by 1 by 1 MPI processor grid
+Created 250 atoms
+Reading potential file Ta6.8x.mgpt.potin with DATE: 2015-07-30
+Neighbor list info ...
+  2 neighbor list requests
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 13.1618
+  ghost atom cutoff = 13.1618
+  binsize = 6.58091 -> bins = 5 5 5
+Memory usage per processor = 3.54482 Mbytes
+Step Volume Temp PotEng TotEng Press 
+       0        30400            0   -74.412503   -74.412503 -1.1594626e+09 
+Loop time of 1.90735e-06 on 1 procs for 0 steps with 250 atoms
+
+0.0% CPU use with 1 MPI tasks x no 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   |            | 1.907e-06  |            |       |100.00
+
+Nlocal:    250 ave 250 max 250 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1479 ave 1479 max 1479 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    8000 ave 8000 max 8000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  16000 ave 16000 max 16000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 16000
+Ave neighs/atom = 64
+Neighbor list builds = 0
+Dangerous builds = 0
+number of atoms = 250
+atomic volume (a.u.) = 121.6
+total energy (ry/atom) = -0.59530002488734
+pressure (gpa) = -1.15946260887556
+250   121.6   -148.825006221835   -1.15946260887556
+121.6   -0.59530002488734   -1.15946260887556
+Total wall time: 0:00:00