Commit 4a8f1a7a authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

update log files for eim example

parent 37289f74
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examples/eim/ffield.eim

deleted100644 → 0
+1 −145
Original line number Diff line number Diff line
 global:  2.0000e+00 -1.6450e+00  1.6450e+00 ### DATE: 2010-08-31 CONTRIBUTOR: Xiaowang Zhou, xzhou@sandia.gov CITATION: Zhou, unknown 
element:  Li    3  6.9410e+00  9.8000e-01  1.1220e+00  1.1220e+00 -1.6500e+00  0.0000e+00
element:  Na   11  2.2990e+01  9.3000e-01  1.3690e+00  1.3690e+00 -1.1100e+00  0.0000e+00
element:   K   19  3.9100e+01  8.2000e-01  1.6910e+00  1.6910e+00 -9.3400e-01  0.0000e+00
element:  Rb   37  8.5470e+01  8.2000e-01  1.8350e+00  1.8350e+00 -8.9200e-01  0.0000e+00
element:  Cs   55  1.3290e+02  7.9000e-01  2.0040e+00  2.0040e+00 -8.2000e-01  0.0000e+00
element:   F    9  1.9000e+01  3.9800e+00  9.5600e-01  9.5600e-01 -8.2000e-01  0.0000e+00
element:  Cl   17  3.5450e+01  3.1600e+00  1.4470e+00  1.4470e+00 -1.2660e+00  0.0000e+00
element:  Br   35  7.9900e+01  2.9600e+00  1.6070e+00  1.6070e+00 -1.1620e+00  0.0000e+00
element:  Id   53  1.2690e+02  2.6600e+00  1.8500e+00  1.8500e+00 -1.1100e+00  0.0000e+00
   pair:  Li  Li  6.0490e+00  6.0490e+00 -2.5330e-01  3.6176e+00  7.5536e+00 &
                  3.5017e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.0637e+00 &
                  3.3271e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Li  Na  6.2550e+00  6.2550e+00 -2.1173e-01  3.8107e+00  7.6502e+00 &
                  3.9066e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.2391e+00 &
                  4.1481e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Li   K  6.5500e+00  6.5500e+00 -1.9593e-01  4.1243e+00  8.3560e+00 &
                  4.1457e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.4670e+00 &
                  3.1840e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Li  Rb  6.6870e+00  6.6870e+00 -1.8748e-01  4.2997e+00  8.8253e+00 &
                  4.1380e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.5690e+00 &
                  4.7482e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Li  Cs  6.1460e+00  6.1460e+00 -1.8290e-01  3.9687e+00  9.7602e+00 &
                  5.5766e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.3351e+00 &
                  5.9605e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Li   F  4.5000e+00  4.5000e+00 -1.2681e+00  1.9644e+00  1.3467e+01 &
                  5.2272e+00  5.4300e+00  2.1778e-02  2.0090e+00  5.4840e+00 &
                  6.9987e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Li  Cl  4.5000e+00  4.5000e+00 -1.1727e+00  2.3957e+00  1.3116e+01 &
                  5.0004e+00  6.9360e+00  2.1778e-02  2.5660e+00  5.9750e+00 &
                  1.5717e+00  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Li  Br  4.7580e+00  4.7580e+00 -8.5748e-01  2.6727e+00  1.4436e+01 &
                  9.1593e+00  7.4250e+00  2.1778e-02  2.7470e+00  6.1350e+00 &
                  1.9827e+00  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Li  Id  5.2390e+00  5.2390e+00 -8.7986e-01  2.9537e+00  1.7362e+01 &
                  1.0904e+01  8.1770e+00  2.1778e-02  3.0250e+00  6.3780e+00 &
                  1.9661e+00  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Na  Na  6.4610e+00  6.4610e+00 -1.7698e-01  4.0039e+00  7.7467e+00 &
                  4.3115e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.4144e+00 &
                  5.1719e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Na   K  6.7560e+00  6.7560e+00 -1.6377e-01  4.3174e+00  8.4525e+00 &
                  4.5506e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.6423e+00 &
                  3.9698e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Na  Rb  6.8930e+00  6.8930e+00 -1.5671e-01  4.4929e+00  8.9219e+00 &
                  4.5430e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.7443e+00 &
                  5.9200e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Na  Cs  6.3520e+00  6.3520e+00 -1.5288e-01  4.1619e+00  9.8567e+00 &
                  5.9816e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.5104e+00 &
                  7.4315e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Na   F  4.5000e+00  4.5000e+00 -1.1620e+00  2.1974e+00  1.1049e+01 &
                  4.1424e+00  6.2360e+00  2.1778e-02  2.3070e+00  5.7310e+00 &
                  4.9728e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Na  Cl  4.8740e+00  4.8740e+00 -8.9972e-01  2.6668e+00  9.4654e+00 &
                  4.9503e+00  7.6060e+00  2.1778e-02  2.8140e+00  6.2220e+00 &
                  7.7787e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Na  Br  5.1630e+00  5.1630e+00 -8.0673e-01  2.7422e+00  8.1178e+00 &
                  3.3460e+00  8.0580e+00  2.1778e-02  2.9810e+00  6.3820e+00 &
                  4.0042e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Na  Id  5.5960e+00  5.5960e+00 -7.2203e-01  3.0252e+00  9.7019e+00 &
                  4.4260e+00  8.7330e+00  2.1778e-02  3.2310e+00  6.6250e+00 &
                  5.9680e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:   K   K  7.0510e+00  7.0510e+00 -1.5155e-01  4.6310e+00  9.1583e+00 &
                  4.7898e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.8702e+00 &
                  3.0471e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:   K  Rb  7.1880e+00  7.1880e+00 -1.4502e-01  4.8065e+00  9.6276e+00 &
                  4.7821e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.9722e+00 &
                  4.5441e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:   K  Cs  6.6460e+00  6.6460e+00 -1.4147e-01  4.4755e+00  1.0563e+01 &
                  6.2207e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.7383e+00 &
                  5.7043e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:   K   F  4.6140e+00  4.6140e+00 -1.0775e+00  2.5856e+00  1.0225e+01 &
                  5.4019e+00  7.2010e+00  2.1778e-02  2.6640e+00  6.0530e+00 &
                  1.0410e+00  6.0000e-01  2.0000e+00  2.0000e+00
   pair:   K  Cl  5.4370e+00  5.4370e+00 -8.1301e-01  3.0910e+00  1.2573e+01 &
                  7.0710e+00  8.4850e+00  2.1778e-02  3.1390e+00  6.5440e+00 &
                  1.4487e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:   K  Br  5.7030e+00  5.7030e+00 -6.7522e-01  3.2878e+00  1.7293e+01 &
                  1.0996e+01  8.9010e+00  2.1778e-02  3.2930e+00  6.7040e+00 &
                  1.1194e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:   K  Id  6.1070e+00  6.1070e+00 -6.0446e-01  3.5269e+00  1.4089e+01 &
                  9.0912e+00  9.5310e+00  2.1778e-02  3.5260e+00  6.9470e+00 &
                  3.0858e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Rb  Rb  7.3250e+00  7.3250e+00 -1.3877e-01  4.9819e+00  1.0097e+01 &
                  4.7744e+00  0.0000e+00  2.1778e-02  2.0000e+00  8.0742e+00 &
                  6.7765e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Rb  Cs  6.7840e+00  6.7840e+00 -1.3538e-01  4.6509e+00  1.1032e+01 &
                  6.2130e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.8403e+00 &
                  8.5066e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Rb   F  4.8760e+00  4.8760e+00 -1.0823e+00  2.7541e+00  1.3747e+01 &
                  7.6226e+00  7.6090e+00  2.1778e-02  2.8150e+00  6.1970e+00 &
                  1.6872e+00  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Rb  Cl  5.6900e+00  5.6900e+00 -7.8153e-01  3.2541e+00  1.5328e+01 &
                  7.5403e+00  8.8790e+00  2.1778e-02  3.2850e+00  6.6880e+00 &
                  5.1848e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Rb  Br  5.9480e+00  5.9480e+00 -6.4488e-01  3.4287e+00  1.4880e+01 &
                  9.5493e+00  9.2820e+00  2.1778e-02  3.4340e+00  6.8480e+00 &
                  1.3768e-02  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Rb  Id  6.3440e+00  6.3440e+00 -5.3162e-01  3.6720e+00  1.5074e+01 &
                  9.7627e+00  9.9010e+00  2.1778e-02  3.6630e+00  7.0910e+00 &
                  7.4616e-02  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Cs  Cs  6.2420e+00  6.2420e+00 -1.3207e-01  4.3199e+00  1.1967e+01 &
                  7.6516e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.6064e+00 &
                  1.0679e+00  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Cs   F  5.2050e+00  5.2050e+00 -9.8283e-01  3.0007e+00  1.3854e+01 &
                  7.7871e+00  8.1230e+00  2.1778e-02  3.0050e+00  6.3660e+00 &
                  2.3092e-01  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Cs  Cl  5.9750e+00  5.9750e+00 -5.8967e-01  3.4958e+00  1.1434e+01 &
                  6.9253e+00  9.3250e+00  2.1778e-02  3.4500e+00  6.8570e+00 &
                  2.1629e+00  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Cs  Br  6.2320e+00  6.2320e+00 -5.5406e-01  3.6322e+00  1.2533e+01 &
                  8.0448e+00  9.7250e+00  2.1778e-02  3.5980e+00  7.0170e+00 &
                  2.1997e+00  6.0000e-01  2.0000e+00  2.0000e+00
   pair:  Cs  Id  6.6210e+00  6.6210e+00 -5.3436e-01  3.8333e+00  1.2407e+01 &
                  7.9302e+00  1.0334e+01  2.1778e-02  3.8230e+00  7.2600e+00 &
                  2.0446e+00  6.0000e-01  2.0000e+00  2.0000e+00
   pair:   F   F  6.0090e+00  6.0090e+00 -1.3323e-01  4.0026e+00  7.7698e+00 &
                  2.9898e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.0273e+00 &
                  1.0029e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:   F  Cl  6.2890e+00  6.2890e+00 -1.6693e-01  4.3780e+00  8.0429e+00 &
                  3.2973e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.2844e+00 &
                  4.0767e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:   F  Br  6.4380e+00  6.4380e+00 -1.6007e-01  4.3642e+00  8.0224e+00 &
                  4.1481e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.3941e+00 &
                  4.3519e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:   F  Id  6.6670e+00  6.6670e+00 -1.5664e-01  4.6057e+00  8.3941e+00 &
                  4.1673e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.5606e+00 &
                  3.8866e-01  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Cl  Cl  6.5690e+00  6.5690e+00 -2.0915e-01  4.7534e+00  8.3161e+00 &
                  3.6047e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.5415e+00 &
                  1.6571e+00  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Cl  Br  6.7180e+00  6.7180e+00 -2.0056e-01  4.7396e+00  8.2956e+00 &
                  4.4555e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.6512e+00 &
                  1.7690e+00  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Cl  Id  6.9470e+00  6.9470e+00 -1.9626e-01  4.9811e+00  8.6672e+00 &
                  4.4747e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.8177e+00 &
                  1.5798e+00  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Br  Br  6.8670e+00  6.8670e+00 -1.9232e-01  4.7259e+00  8.2751e+00 &
                  5.3064e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.7610e+00 &
                  1.8884e+00  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Br  Id  7.0960e+00  7.0960e+00 -1.8820e-01  4.9674e+00  8.6467e+00 &
                  5.3256e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.9274e+00 &
                  1.6865e+00  6.0000e-01  2.0000e+00  1.0000e+00
   pair:  Id  Id  7.3250e+00  7.3250e+00 -1.8417e-01  5.2089e+00  9.0184e+00 &
                  5.3448e+00  0.0000e+00  2.1778e-02  2.0000e+00  8.0939e+00 &
                  1.5062e+00  6.0000e-01  2.0000e+00  1.0000e+00
+1 −145
Original line number Diff line number Diff line
../../potentials/ffield.eim
 No newline at end of file
+94 −0
Original line number Diff line number Diff line
LAMMPS (5 Oct 2016)
LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# NaCl test problem for embedded atom method (EIM) potential

units		metal
@@ -40,49 +41,54 @@ fix int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1

run             500
Neighbor list info ...
  1 neighbor list requests
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.906
  ghost atom cutoff = 7.906
  binsize = 3.953 -> bins = 10 10 10
Memory usage per processor = 2.76959 Mbytes
  binsize = 3.953, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair eim, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.169 | 3.169 | 3.169 Mbytes
Step PotEng Pxx Pyy Pzz Temp 
       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
      50   -5773.8661    889.73924    898.43321     703.5365    891.68472 
     100   -5742.8192     866.6183    817.86837    889.72898    838.77403 
     150    -5738.752   -335.23317   -345.69716    -123.3196    900.54672 
     200   -5704.2444   -172.01932   -508.83888   -654.45947    834.82705 
     250   -5724.4679    375.50199    546.99196    405.29298    966.14585 
     300   -5718.5442    428.47856    361.93998    752.00729    934.57116 
     350   -5722.7694   -409.40162   -484.53168    42.702482    865.13075 
     400   -5743.6862    173.43552    288.02324    107.96614    840.48912 
     450   -5751.3366   -752.54635   -762.07316   -591.45022    743.42176 
     500   -5780.5266   -157.23981    84.510897   -52.426827    712.64129 
Loop time of 5.86191 on 1 procs for 500 steps with 2000 atoms
      50   -5773.8755      1024.91    1034.0269     838.0568    891.54632 
     100   -5742.8536     806.6806    769.72456     836.8687    838.72572 
     150   -5738.7736   -355.86552     -362.389   -155.34159    900.47212 
     200   -5704.2318   -227.29937   -538.51196    -762.1005    834.64611 
     250   -5724.4788    502.49466    657.68817    529.01376    966.07978 
     300   -5718.6085    457.03928    186.13362    725.43587    934.80653 
     350   -5722.7713   -318.51677   -377.15809    125.76892    865.12488 
     400   -5743.7387   -2.3555301    61.330533   -402.22943    840.67167 
     450   -5751.2518   -437.13614   -374.77859    236.60865    743.10367 
     500   -5780.5268   -750.96919   -793.62966   -1722.9652    712.74134 
Loop time of 6.10824 on 1 procs for 500 steps with 2000 atoms

Performance: 7.370 ns/day, 3.257 hours/ns, 85.296 timesteps/s
99.8% CPU use with 1 MPI tasks x no OpenMP threads
Performance: 7.072 ns/day, 3.393 hours/ns, 81.857 timesteps/s
99.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.4001     | 5.4001     | 5.4001     |   0.0 | 92.12
Neigh   | 0.37572    | 0.37572    | 0.37572    |   0.0 |  6.41
Comm    | 0.019177   | 0.019177   | 0.019177   |   0.0 |  0.33
Output  | 0.00028348 | 0.00028348 | 0.00028348 |   0.0 |  0.00
Modify  | 0.057656   | 0.057656   | 0.057656   |   0.0 |  0.98
Other   |            | 0.008926   |            |       |  0.15
Pair    | 5.5778     | 5.5778     | 5.5778     |   0.0 | 91.32
Neigh   | 0.43316    | 0.43316    | 0.43316    |   0.0 |  7.09
Comm    | 0.027343   | 0.027343   | 0.027343   |   0.0 |  0.45
Output  | 0.00038743 | 0.00038743 | 0.00038743 |   0.0 |  0.01
Modify  | 0.060761   | 0.060761   | 0.060761   |   0.0 |  0.99
Other   |            | 0.008835   |            |       |  0.14

Nlocal:    2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4194 ave 4194 max 4194 min
Nghost:    4198 ave 4198 max 4198 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    99537 ave 99537 max 99537 min
Neighs:    99451 ave 99451 max 99451 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 99537
Ave neighs/atom = 49.7685
Neighbor list builds = 89
Total # of neighbors = 99451
Ave neighs/atom = 49.7255
Neighbor list builds = 90
Dangerous builds = 10
Total wall time: 0:00:05
Total wall time: 0:00:06
+94 −0
Original line number Diff line number Diff line
LAMMPS (5 Oct 2016)
LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# NaCl test problem for embedded atom method (EIM) potential

units		metal
@@ -40,49 +41,54 @@ fix int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1

run             500
Neighbor list info ...
  1 neighbor list requests
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.906
  ghost atom cutoff = 7.906
  binsize = 3.953 -> bins = 10 10 10
Memory usage per processor = 2.70056 Mbytes
  binsize = 3.953, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair eim, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.051 | 3.051 | 3.051 Mbytes
Step PotEng Pxx Pyy Pzz Temp 
       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
      50   -5773.8661    889.73924    898.43321     703.5365    891.68472 
     100   -5742.8192     866.6183    817.86837    889.72898    838.77403 
     150    -5738.752   -335.23317   -345.69716    -123.3196    900.54672 
     200   -5704.2444   -172.01932   -508.83888   -654.45947    834.82705 
     250   -5724.4679    375.50199    546.99196    405.29298    966.14585 
     300   -5718.5442    428.47856    361.93998    752.00729    934.57116 
     350   -5722.7694   -409.40162   -484.53168    42.702482    865.13075 
     400   -5743.6862    173.43552    288.02324    107.96614    840.48912 
     450   -5751.3366   -752.54635   -762.07316   -591.45022    743.42176 
     500   -5780.5266   -157.23981    84.510897   -52.426827    712.64129 
Loop time of 1.56761 on 4 procs for 500 steps with 2000 atoms
      50   -5773.8755      1024.91    1034.0269     838.0568    891.54632 
     100   -5742.8536     806.6806    769.72456     836.8687    838.72572 
     150   -5738.7736   -355.86552     -362.389   -155.34159    900.47212 
     200   -5704.2318   -227.29937   -538.51196    -762.1005    834.64611 
     250   -5724.4788    502.49466    657.68817    529.01376    966.07978 
     300   -5718.6085    457.03928    186.13362    725.43587    934.80653 
     350   -5722.7713   -318.51677   -377.15809    125.76892    865.12488 
     400   -5743.7387   -2.3555301    61.330533   -402.22943    840.67167 
     450   -5751.2518   -437.13614   -374.77859    236.60865    743.10367 
     500   -5780.5268   -750.96919   -793.62966   -1722.9652    712.74134 
Loop time of 1.79017 on 4 procs for 500 steps with 2000 atoms

Performance: 27.558 ns/day, 0.871 hours/ns, 318.957 timesteps/s
99.8% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 24.132 ns/day, 0.995 hours/ns, 279.303 timesteps/s
98.3% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.3749     | 1.3896     | 1.4073     |   1.1 | 88.65
Neigh   | 0.093211   | 0.094616   | 0.096788   |   0.5 |  6.04
Comm    | 0.034484   | 0.05451    | 0.070809   |   6.2 |  3.48
Output  | 0.00025511 | 0.00026953 | 0.00029612 |   0.1 |  0.02
Modify  | 0.023773   | 0.023898   | 0.024043   |   0.1 |  1.52
Other   |            | 0.004684   |            |       |  0.30
Pair    | 1.5775     | 1.584      | 1.5959     |   0.6 | 88.48
Neigh   | 0.10838    | 0.10882    | 0.10955    |   0.1 |  6.08
Comm    | 0.050677   | 0.062797   | 0.069371   |   2.9 |  3.51
Output  | 0.00031972 | 0.00056875 | 0.0013139  |   0.0 |  0.03
Modify  | 0.027115   | 0.02819    | 0.028965   |   0.4 |  1.57
Other   |            | 0.005774   |            |       |  0.32

Nlocal:    500 ave 501 max 498 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Nghost:    2179.25 ave 2182 max 2175 min
Histogram: 1 0 0 0 0 1 0 0 1 1
Neighs:    24884.2 ave 25164 max 24622 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nlocal:    500 ave 501 max 499 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    2180.25 ave 2183 max 2177 min
Histogram: 1 0 0 0 0 1 1 0 0 1
Neighs:    24862.8 ave 25154 max 24659 min
Histogram: 1 0 1 1 0 0 0 0 0 1

Total # of neighbors = 99537
Ave neighs/atom = 49.7685
Neighbor list builds = 89
Total # of neighbors = 99451
Ave neighs/atom = 49.7255
Neighbor list builds = 90
Dangerous builds = 10
Total wall time: 0:00:01

examples/eim/ffield.eim

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