diff --git a/python/examples/demo.py b/python/examples/demo.py index 2f74a418ca..fb212d0e12 100755 --- a/python/examples/demo.py +++ b/python/examples/demo.py @@ -15,21 +15,14 @@ if len(argv) != 1: print "Syntax: demo.py" sys.exit() -me = 0 -# uncomment if running in parallel via Pypar -#import pypar -#me = pypar.rank() -#nprocs = pypar.size() - from lammps import lammps - lmp = lammps() # test out various library functions after running in.demo lmp.file("in.demo") -if me == 0: print "\nPython output:" +print "\nPython output:" natoms = lmp.extract_global("natoms",0) mass = lmp.extract_atom("mass",2) @@ -55,7 +48,3 @@ xc[0] = xc[0] + 1.0 lmp.scatter_atoms("x",1,3,xc) print "Changed x[0][0] via scatter_atoms =",x[0][0] - -# uncomment if running in parallel via Pypar -#print "Proc %d out of %d procs has" % (me,nprocs), lmp -#pypar.finalize() diff --git a/python/examples/log.lammps b/python/examples/log.lammps new file mode 100644 index 0000000000..f99c00c870 --- /dev/null +++ b/python/examples/log.lammps @@ -0,0 +1,16168 @@ +LAMMPS (4 Jun 2014) +# problem setup for Monte Carlo relaxation of perturbed 2d hex lattice + +# same as example/MC/in.mc + + + +units lj + +atom_style atomic + +atom_modify map array sort 0 0.0 + + + +dimension 2 + + + +lattice hex 1.0 + +Lattice spacing in x,y,z = 1.07457 1.86121 1.07457 +region box block 0 10 0 5 -0.5 0.5 + + + +create_box 1 box + +Created orthogonal box = (0 0 -0.537285) to (10.7457 9.30605 0.537285) + 1 by 1 by 1 MPI processor grid +create_atoms 1 box + +Created 100 atoms +mass 1 1.0 + + + +pair_style lj/cut 2.5 + +pair_coeff 1 1 1.0 1.0 2.5 + +pair_modify shift yes + + + +neighbor 0.3 bin + +neigh_modify delay 0 every 1 check yes + +variable e equal pe +run 0 +WARNING: No fixes defined, atoms won't move (verlet.cpp:55) +Memory usage per processor = 2.35582 Mbytes +Step Temp E_pair E_mol TotEng Press + 0 0 -2.9871562 0 -2.9871562 5.8100167 +Loop time of 0 on 1 procs for 0 steps with 100 atoms + +Pair time (%) = 0 (0) +Neigh time (%) = 0 (0) +Comm time (%) = 0 (0) +Outpt time (%) = 0 (0) +Other time (%) = 0 (0) + +Nlocal: 100 ave 100 max 100 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 164 ave 164 max 164 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 900 ave 900 max 900 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 900 +Ave neighs/atom = 9 +Neighbor list builds = 0 +Dangerous builds = 0 +variable emin equal $e +variable emin equal -2.98715616447945 +variable elast equal $e +variable elast equal -2.98715616447945 +thermo_style custom step v_emin v_elast pe +run 0 +WARNING: No fixes defined, atoms won't move (verlet.cpp:55) +Memory usage per processor = 2.35582 Mbytes +Step emin elast PotEng + 0 -2.9871562 -2.9871562 23.597376 +Loop time of 0 on 1 procs for 0 steps with 100 atoms + +Pair time (%) = 0 (0) +Neigh time (%) = 0 (0) +Comm time (%) = 0 (0) +Outpt time (%) = 0 (0) +Other time (%) = 0 (0) + +Nlocal: 100 ave 100 max 100 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 140 ave 140 max 140 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 1141 ave 1141 max 1141 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 1141 +Ave neighs/atom = 11.41 +Neighbor list builds = 0 +Dangerous builds = 0 +variable elast equal $e +variable elast equal 23.5973758732705 +run 1 pre no post no +Step emin elast PotEng + 0 -2.9871562 23.597376 23.597376 + 1 -2.9871562 23.597376 23.503233 +Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 23.5032330660078 +run 1 pre no post no +Step emin elast PotEng + 1 -2.9871562 23.503233 23.503233 + 2 -2.9871562 23.503233 23.365183 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 23.365182561201 +run 1 pre no post no +Step emin elast PotEng + 2 -2.9871562 23.365183 23.365183 + 3 -2.9871562 23.365183 23.300092 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 23.3000917778275 +run 1 pre no post no +Step emin elast PotEng + 3 -2.9871562 23.300092 23.300092 + 4 -2.9871562 23.300092 30.419597 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 4 -2.9871562 23.300092 30.419597 + 5 -2.9871562 23.300092 25.279979 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 5 -2.9871562 23.300092 25.279979 + 6 -2.9871562 23.300092 23.538587 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 6 -2.9871562 23.300092 23.538587 + 7 -2.9871562 23.300092 24.40638 +Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 7 -2.9871562 23.300092 24.40638 + 8 -2.9871562 23.300092 23.111325 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 23.1113253107626 +run 1 pre no post no +Step emin elast PotEng + 8 -2.9871562 23.111325 23.111325 + 9 -2.9871562 23.111325 23.226396 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 9 -2.9871562 23.111325 23.226396 + 10 -2.9871562 23.111325 23.085635 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 23.085635397833 +run 1 pre no post no +Step emin elast PotEng + 10 -2.9871562 23.085635 23.085635 + 11 -2.9871562 23.085635 24.082311 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 11 -2.9871562 23.085635 24.082311 + 12 -2.9871562 23.085635 23.931273 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 12 -2.9871562 23.085635 23.931273 + 13 -2.9871562 23.085635 24.096242 +Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 13 -2.9871562 23.085635 24.096242 + 14 -2.9871562 23.085635 22.679804 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 22.6798044684243 +run 1 pre no post no +Step emin elast PotEng + 14 -2.9871562 22.679804 22.679804 + 15 -2.9871562 22.679804 22.447311 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 22.447311204358 +run 1 pre no post no +Step emin elast PotEng + 15 -2.9871562 22.447311 22.447311 + 16 -2.9871562 22.447311 21.532439 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 21.5324391078033 +run 1 pre no post no +Step emin elast PotEng + 16 -2.9871562 21.532439 21.532439 + 17 -2.9871562 21.532439 21.486997 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 21.4869965895482 +run 1 pre no post no +Step emin elast PotEng + 17 -2.9871562 21.486997 21.486997 + 18 -2.9871562 21.486997 21.268878 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 21.268878373734 +run 1 pre no post no +Step emin elast PotEng + 18 -2.9871562 21.268878 21.268878 + 19 -2.9871562 21.268878 21.082892 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 21.0828921276693 +run 1 pre no post no +Step emin elast PotEng + 19 -2.9871562 21.082892 21.082892 + 20 -2.9871562 21.082892 21.23571 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 20 -2.9871562 21.082892 21.23571 + 21 -2.9871562 21.082892 21.006638 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 21.0066378116118 +run 1 pre no post no +Step emin elast PotEng + 21 -2.9871562 21.006638 21.006638 + 22 -2.9871562 21.006638 20.878918 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 20.8789179838073 +run 1 pre no post no +Step emin elast PotEng + 22 -2.9871562 20.878918 20.878918 + 23 -2.9871562 20.878918 21.42579 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 23 -2.9871562 20.878918 21.42579 + 24 -2.9871562 20.878918 20.927378 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 24 -2.9871562 20.878918 20.927378 + 25 -2.9871562 20.878918 20.825088 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 20.8250875497331 +run 1 pre no post no +Step emin elast PotEng + 25 -2.9871562 20.825088 20.825088 + 26 -2.9871562 20.825088 21.08764 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 26 -2.9871562 20.825088 21.08764 + 27 -2.9871562 20.825088 21.019386 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 27 -2.9871562 20.825088 21.019386 + 28 -2.9871562 20.825088 21.030174 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 28 -2.9871562 20.825088 21.030174 + 29 -2.9871562 20.825088 21.941952 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 29 -2.9871562 20.825088 21.941952 + 30 -2.9871562 20.825088 20.85452 +Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 30 -2.9871562 20.825088 20.85452 + 31 -2.9871562 20.825088 20.57444 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 20.5744395660496 +run 1 pre no post no +Step emin elast PotEng + 31 -2.9871562 20.57444 20.57444 + 32 -2.9871562 20.57444 20.583901 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 32 -2.9871562 20.57444 20.583901 + 33 -2.9871562 20.57444 20.912658 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 33 -2.9871562 20.57444 20.912658 + 34 -2.9871562 20.57444 20.628711 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 34 -2.9871562 20.57444 20.628711 + 35 -2.9871562 20.57444 20.582526 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 35 -2.9871562 20.57444 20.582526 + 36 -2.9871562 20.57444 20.608939 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 36 -2.9871562 20.57444 20.608939 + 37 -2.9871562 20.57444 20.560254 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 20.5602535567031 +run 1 pre no post no +Step emin elast PotEng + 37 -2.9871562 20.560254 20.560254 + 38 -2.9871562 20.560254 20.567114 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 38 -2.9871562 20.560254 20.567114 + 39 -2.9871562 20.560254 21.207081 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 39 -2.9871562 20.560254 21.207081 + 40 -2.9871562 20.560254 20.541415 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 20.5414148868439 +run 1 pre no post no +Step emin elast PotEng + 40 -2.9871562 20.541415 20.541415 + 41 -2.9871562 20.541415 20.488579 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 20.4885794170387 +run 1 pre no post no +Step emin elast PotEng + 41 -2.9871562 20.488579 20.488579 + 42 -2.9871562 20.488579 25.673537 +Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 42 -2.9871562 20.488579 25.673537 + 43 -2.9871562 20.488579 20.518392 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 43 -2.9871562 20.488579 20.518392 + 44 -2.9871562 20.488579 19.670271 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 19.6702714947962 +run 1 pre no post no +Step emin elast PotEng + 44 -2.9871562 19.670271 19.670271 + 45 -2.9871562 19.670271 19.552398 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 19.5523981389673 +run 1 pre no post no +Step emin elast PotEng + 45 -2.9871562 19.552398 19.552398 + 46 -2.9871562 19.552398 19.616816 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 46 -2.9871562 19.552398 19.616816 + 47 -2.9871562 19.552398 19.709453 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 47 -2.9871562 19.552398 19.709453 + 48 -2.9871562 19.552398 19.549212 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 19.5492120714356 +run 1 pre no post no +Step emin elast PotEng + 48 -2.9871562 19.549212 19.549212 + 49 -2.9871562 19.549212 19.041498 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 19.0414977318459 +run 1 pre no post no +Step emin elast PotEng + 49 -2.9871562 19.041498 19.041498 + 50 -2.9871562 19.041498 19.0398 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 19.0398002078251 +run 1 pre no post no +Step emin elast PotEng + 50 -2.9871562 19.0398 19.0398 + 51 -2.9871562 19.0398 19.01331 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 19.0133102038933 +run 1 pre no post no +Step emin elast PotEng + 51 -2.9871562 19.01331 19.01331 + 52 -2.9871562 19.01331 18.942884 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.9428844046155 +run 1 pre no post no +Step emin elast PotEng + 52 -2.9871562 18.942884 18.942884 + 53 -2.9871562 18.942884 18.953884 +Loop time of 9.01222e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 53 -2.9871562 18.942884 18.953884 + 54 -2.9871562 18.942884 18.922571 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.9225708290457 +run 1 pre no post no +Step emin elast PotEng + 54 -2.9871562 18.922571 18.922571 + 55 -2.9871562 18.922571 18.94128 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 55 -2.9871562 18.922571 18.94128 + 56 -2.9871562 18.922571 19.353642 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 56 -2.9871562 18.922571 19.353642 + 57 -2.9871562 18.922571 18.905113 +Loop time of 0.00904822 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.9051132503562 +run 1 pre no post no +Step emin elast PotEng + 57 -2.9871562 18.905113 18.905113 + 58 -2.9871562 18.905113 18.897177 +Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.8971768581059 +run 1 pre no post no +Step emin elast PotEng + 58 -2.9871562 18.897177 18.897177 + 59 -2.9871562 18.897177 19.236177 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 59 -2.9871562 18.897177 19.236177 + 60 -2.9871562 18.897177 18.858581 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.8585811392412 +run 1 pre no post no +Step emin elast PotEng + 60 -2.9871562 18.858581 18.858581 + 61 -2.9871562 18.858581 18.824427 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.8244268554594 +run 1 pre no post no +Step emin elast PotEng + 61 -2.9871562 18.824427 18.824427 + 62 -2.9871562 18.824427 18.826411 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 62 -2.9871562 18.824427 18.826411 + 63 -2.9871562 18.824427 18.415216 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.4152164668355 +run 1 pre no post no +Step emin elast PotEng + 63 -2.9871562 18.415216 18.415216 + 64 -2.9871562 18.415216 30.024816 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 64 -2.9871562 18.415216 30.024816 + 65 -2.9871562 18.415216 19.967855 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 65 -2.9871562 18.415216 19.967855 + 66 -2.9871562 18.415216 18.07768 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.0776804787666 +run 1 pre no post no +Step emin elast PotEng + 66 -2.9871562 18.07768 18.07768 + 67 -2.9871562 18.07768 18.050236 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.0502364479506 +run 1 pre no post no +Step emin elast PotEng + 67 -2.9871562 18.050236 18.050236 + 68 -2.9871562 18.050236 18.362029 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 68 -2.9871562 18.050236 18.362029 + 69 -2.9871562 18.050236 18.051455 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 69 -2.9871562 18.050236 18.051455 + 70 -2.9871562 18.050236 18.137312 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 70 -2.9871562 18.050236 18.137312 + 71 -2.9871562 18.050236 18.055633 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 71 -2.9871562 18.050236 18.055633 + 72 -2.9871562 18.050236 18.087093 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 72 -2.9871562 18.050236 18.087093 + 73 -2.9871562 18.050236 18.049799 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.049798867206 +run 1 pre no post no +Step emin elast PotEng + 73 -2.9871562 18.049799 18.049799 + 74 -2.9871562 18.049799 18.053072 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 74 -2.9871562 18.049799 18.053072 + 75 -2.9871562 18.049799 18.044393 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 18.0443933465851 +run 1 pre no post no +Step emin elast PotEng + 75 -2.9871562 18.044393 18.044393 + 76 -2.9871562 18.044393 17.951319 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.9513187883918 +run 1 pre no post no +Step emin elast PotEng + 76 -2.9871562 17.951319 17.951319 + 77 -2.9871562 17.951319 17.632906 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.6329062600221 +run 1 pre no post no +Step emin elast PotEng + 77 -2.9871562 17.632906 17.632906 + 78 -2.9871562 17.632906 17.656751 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 78 -2.9871562 17.632906 17.656751 + 79 -2.9871562 17.632906 17.938679 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 79 -2.9871562 17.632906 17.938679 + 80 -2.9871562 17.632906 19.899778 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 80 -2.9871562 17.632906 19.899778 + 81 -2.9871562 17.632906 17.649419 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 81 -2.9871562 17.632906 17.649419 + 82 -2.9871562 17.632906 17.653946 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 82 -2.9871562 17.632906 17.653946 + 83 -2.9871562 17.632906 17.624373 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.6243725747982 +run 1 pre no post no +Step emin elast PotEng + 83 -2.9871562 17.624373 17.624373 + 84 -2.9871562 17.624373 18.284757 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 84 -2.9871562 17.624373 18.284757 + 85 -2.9871562 17.624373 17.633095 +Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 85 -2.9871562 17.624373 17.633095 + 86 -2.9871562 17.624373 17.616936 +Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.6169357446388 +run 1 pre no post no +Step emin elast PotEng + 86 -2.9871562 17.616936 17.616936 + 87 -2.9871562 17.616936 17.60235 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.6023497334982 +run 1 pre no post no +Step emin elast PotEng + 87 -2.9871562 17.60235 17.60235 + 88 -2.9871562 17.60235 17.541719 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.5417188410189 +run 1 pre no post no +Step emin elast PotEng + 88 -2.9871562 17.541719 17.541719 + 89 -2.9871562 17.541719 18.276067 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 89 -2.9871562 17.541719 18.276067 + 90 -2.9871562 17.541719 17.574591 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 90 -2.9871562 17.541719 17.574591 + 91 -2.9871562 17.541719 17.486031 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.4860314532053 +run 1 pre no post no +Step emin elast PotEng + 91 -2.9871562 17.486031 17.486031 + 92 -2.9871562 17.486031 17.558955 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 92 -2.9871562 17.486031 17.558955 + 93 -2.9871562 17.486031 18.295358 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 93 -2.9871562 17.486031 18.295358 + 94 -2.9871562 17.486031 18.180216 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 94 -2.9871562 17.486031 18.180216 + 95 -2.9871562 17.486031 17.494206 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 95 -2.9871562 17.486031 17.494206 + 96 -2.9871562 17.486031 17.4941 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 96 -2.9871562 17.486031 17.4941 + 97 -2.9871562 17.486031 17.455195 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.4551946015021 +run 1 pre no post no +Step emin elast PotEng + 97 -2.9871562 17.455195 17.455195 + 98 -2.9871562 17.455195 17.280399 +Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.2803988438267 +run 1 pre no post no +Step emin elast PotEng + 98 -2.9871562 17.280399 17.280399 + 99 -2.9871562 17.280399 18.076257 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 99 -2.9871562 17.280399 18.076257 + 100 -2.9871562 17.280399 17.334385 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 100 -2.9871562 17.280399 17.334385 + 101 -2.9871562 17.280399 17.540846 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 101 -2.9871562 17.280399 17.540846 + 102 -2.9871562 17.280399 17.192873 +Loop time of 0.0126331 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.192873158717 +run 1 pre no post no +Step emin elast PotEng + 102 -2.9871562 17.192873 17.192873 + 103 -2.9871562 17.192873 17.188658 +Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.1886577115308 +run 1 pre no post no +Step emin elast PotEng + 103 -2.9871562 17.188658 17.188658 + 104 -2.9871562 17.188658 17.183089 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.1830893413904 +run 1 pre no post no +Step emin elast PotEng + 104 -2.9871562 17.183089 17.183089 + 105 -2.9871562 17.183089 18.041712 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 105 -2.9871562 17.183089 18.041712 + 106 -2.9871562 17.183089 17.54233 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 106 -2.9871562 17.183089 17.54233 + 107 -2.9871562 17.183089 17.171051 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.1710511601681 +run 1 pre no post no +Step emin elast PotEng + 107 -2.9871562 17.171051 17.171051 + 108 -2.9871562 17.171051 17.261737 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 108 -2.9871562 17.171051 17.261737 + 109 -2.9871562 17.171051 17.172846 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 109 -2.9871562 17.171051 17.172846 + 110 -2.9871562 17.171051 17.11891 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 17.1189104630071 +run 1 pre no post no +Step emin elast PotEng + 110 -2.9871562 17.11891 17.11891 + 111 -2.9871562 17.11891 14.114966 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 14.1149661550018 +run 1 pre no post no +Step emin elast PotEng + 111 -2.9871562 14.114966 14.114966 + 112 -2.9871562 14.114966 14.122489 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 112 -2.9871562 14.114966 14.122489 + 113 -2.9871562 14.114966 14.569165 +Loop time of 8.89301e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 113 -2.9871562 14.114966 14.569165 + 114 -2.9871562 14.114966 14.060056 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 14.0600555716125 +run 1 pre no post no +Step emin elast PotEng + 114 -2.9871562 14.060056 14.060056 + 115 -2.9871562 14.060056 14.059537 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 14.059537381401 +run 1 pre no post no +Step emin elast PotEng + 115 -2.9871562 14.059537 14.059537 + 116 -2.9871562 14.059537 14.06316 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 116 -2.9871562 14.059537 14.06316 + 117 -2.9871562 14.059537 14.007522 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 14.0075223470808 +run 1 pre no post no +Step emin elast PotEng + 117 -2.9871562 14.007522 14.007522 + 118 -2.9871562 14.007522 13.837848 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.8378477914946 +run 1 pre no post no +Step emin elast PotEng + 118 -2.9871562 13.837848 13.837848 + 119 -2.9871562 13.837848 13.843937 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 119 -2.9871562 13.837848 13.843937 + 120 -2.9871562 13.837848 14.585461 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 120 -2.9871562 13.837848 14.585461 + 121 -2.9871562 13.837848 14.799855 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 121 -2.9871562 13.837848 14.799855 + 122 -2.9871562 13.837848 13.791922 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.791921620762 +run 1 pre no post no +Step emin elast PotEng + 122 -2.9871562 13.791922 13.791922 + 123 -2.9871562 13.791922 14.077977 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 123 -2.9871562 13.791922 14.077977 + 124 -2.9871562 13.791922 13.774365 +Loop time of 8.70228e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.7743651003912 +run 1 pre no post no +Step emin elast PotEng + 124 -2.9871562 13.774365 13.774365 + 125 -2.9871562 13.774365 13.861358 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 125 -2.9871562 13.774365 13.861358 + 126 -2.9871562 13.774365 13.594321 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.5943205817737 +run 1 pre no post no +Step emin elast PotEng + 126 -2.9871562 13.594321 13.594321 + 127 -2.9871562 13.594321 13.547983 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.5479834495213 +run 1 pre no post no +Step emin elast PotEng + 127 -2.9871562 13.547983 13.547983 + 128 -2.9871562 13.547983 13.581869 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 128 -2.9871562 13.547983 13.581869 + 129 -2.9871562 13.547983 13.547695 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.547695108945 +run 1 pre no post no +Step emin elast PotEng + 129 -2.9871562 13.547695 13.547695 + 130 -2.9871562 13.547695 13.548426 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 130 -2.9871562 13.547695 13.548426 + 131 -2.9871562 13.547695 13.539641 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.5396412151801 +run 1 pre no post no +Step emin elast PotEng + 131 -2.9871562 13.539641 13.539641 + 132 -2.9871562 13.539641 13.417986 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.4179861906278 +run 1 pre no post no +Step emin elast PotEng + 132 -2.9871562 13.417986 13.417986 + 133 -2.9871562 13.417986 13.590321 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 133 -2.9871562 13.417986 13.590321 + 134 -2.9871562 13.417986 13.158547 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.1585468609877 +run 1 pre no post no +Step emin elast PotEng + 134 -2.9871562 13.158547 13.158547 + 135 -2.9871562 13.158547 13.251324 +Loop time of 8.60691e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 135 -2.9871562 13.158547 13.251324 + 136 -2.9871562 13.158547 13.179807 +Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 136 -2.9871562 13.158547 13.179807 + 137 -2.9871562 13.158547 13.163725 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 137 -2.9871562 13.158547 13.163725 + 138 -2.9871562 13.158547 13.110733 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.110732650405 +run 1 pre no post no +Step emin elast PotEng + 138 -2.9871562 13.110733 13.110733 + 139 -2.9871562 13.110733 13.160214 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 139 -2.9871562 13.110733 13.160214 + 140 -2.9871562 13.110733 13.135364 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 140 -2.9871562 13.110733 13.135364 + 141 -2.9871562 13.110733 13.190344 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 141 -2.9871562 13.110733 13.190344 + 142 -2.9871562 13.110733 13.183527 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 142 -2.9871562 13.110733 13.183527 + 143 -2.9871562 13.110733 13.05627 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.0562698995685 +run 1 pre no post no +Step emin elast PotEng + 143 -2.9871562 13.05627 13.05627 + 144 -2.9871562 13.05627 13.042186 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.0421855893476 +run 1 pre no post no +Step emin elast PotEng + 144 -2.9871562 13.042186 13.042186 + 145 -2.9871562 13.042186 13.041169 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 13.0411686125102 +run 1 pre no post no +Step emin elast PotEng + 145 -2.9871562 13.041169 13.041169 + 146 -2.9871562 13.041169 13.073298 +Loop time of 9.91821e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 146 -2.9871562 13.041169 13.073298 + 147 -2.9871562 13.041169 12.961492 +Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.9614915811158 +run 1 pre no post no +Step emin elast PotEng + 147 -2.9871562 12.961492 12.961492 + 148 -2.9871562 12.961492 13.08687 +Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 148 -2.9871562 12.961492 13.08687 + 149 -2.9871562 12.961492 16.135802 +Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 149 -2.9871562 12.961492 16.135802 + 150 -2.9871562 12.961492 12.943178 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.9431779431511 +run 1 pre no post no +Step emin elast PotEng + 150 -2.9871562 12.943178 12.943178 + 151 -2.9871562 12.943178 12.941748 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.94174757891 +run 1 pre no post no +Step emin elast PotEng + 151 -2.9871562 12.941748 12.941748 + 152 -2.9871562 12.941748 12.954545 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 152 -2.9871562 12.941748 12.954545 + 153 -2.9871562 12.941748 12.730032 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.7300320924743 +run 1 pre no post no +Step emin elast PotEng + 153 -2.9871562 12.730032 12.730032 + 154 -2.9871562 12.730032 12.731769 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 154 -2.9871562 12.730032 12.731769 + 155 -2.9871562 12.730032 12.898486 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 155 -2.9871562 12.730032 12.898486 + 156 -2.9871562 12.730032 12.729948 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.7299478857533 +run 1 pre no post no +Step emin elast PotEng + 156 -2.9871562 12.729948 12.729948 + 157 -2.9871562 12.729948 12.730624 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 157 -2.9871562 12.729948 12.730624 + 158 -2.9871562 12.729948 12.750112 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 158 -2.9871562 12.729948 12.750112 + 159 -2.9871562 12.729948 12.691744 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.6917439259755 +run 1 pre no post no +Step emin elast PotEng + 159 -2.9871562 12.691744 12.691744 + 160 -2.9871562 12.691744 12.667089 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.6670893327644 +run 1 pre no post no +Step emin elast PotEng + 160 -2.9871562 12.667089 12.667089 + 161 -2.9871562 12.667089 12.733229 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 161 -2.9871562 12.667089 12.733229 + 162 -2.9871562 12.667089 12.703798 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 162 -2.9871562 12.667089 12.703798 + 163 -2.9871562 12.667089 12.988856 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 163 -2.9871562 12.667089 12.988856 + 164 -2.9871562 12.667089 12.53513 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.5351302278882 +run 1 pre no post no +Step emin elast PotEng + 164 -2.9871562 12.53513 12.53513 + 165 -2.9871562 12.53513 12.363166 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.3631662578884 +run 1 pre no post no +Step emin elast PotEng + 165 -2.9871562 12.363166 12.363166 + 166 -2.9871562 12.363166 12.373921 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 166 -2.9871562 12.363166 12.373921 + 167 -2.9871562 12.363166 12.400817 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 167 -2.9871562 12.363166 12.400817 + 168 -2.9871562 12.363166 12.363357 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 168 -2.9871562 12.363166 12.363357 + 169 -2.9871562 12.363166 12.382143 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 169 -2.9871562 12.363166 12.382143 + 170 -2.9871562 12.363166 12.288885 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.2888847308211 +run 1 pre no post no +Step emin elast PotEng + 170 -2.9871562 12.288885 12.288885 + 171 -2.9871562 12.288885 12.247376 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 12.2473764839827 +run 1 pre no post no +Step emin elast PotEng + 171 -2.9871562 12.247376 12.247376 + 172 -2.9871562 12.247376 12.362627 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 172 -2.9871562 12.247376 12.362627 + 173 -2.9871562 12.247376 12.726833 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 173 -2.9871562 12.247376 12.726833 + 174 -2.9871562 12.247376 12.252656 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 174 -2.9871562 12.247376 12.252656 + 175 -2.9871562 12.247376 11.609057 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 11.609056832848 +run 1 pre no post no +Step emin elast PotEng + 175 -2.9871562 11.609057 11.609057 + 176 -2.9871562 11.609057 11.785728 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 176 -2.9871562 11.609057 11.785728 + 177 -2.9871562 11.609057 11.607648 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 11.6076478603615 +run 1 pre no post no +Step emin elast PotEng + 177 -2.9871562 11.607648 11.607648 + 178 -2.9871562 11.607648 11.077635 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 11.0776353891978 +run 1 pre no post no +Step emin elast PotEng + 178 -2.9871562 11.077635 11.077635 + 179 -2.9871562 11.077635 11.167463 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 179 -2.9871562 11.077635 11.167463 + 180 -2.9871562 11.077635 11.294601 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 180 -2.9871562 11.077635 11.294601 + 181 -2.9871562 11.077635 11.068571 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 11.0685710171858 +run 1 pre no post no +Step emin elast PotEng + 181 -2.9871562 11.068571 11.068571 + 182 -2.9871562 11.068571 11.068054 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 11.0680535119418 +run 1 pre no post no +Step emin elast PotEng + 182 -2.9871562 11.068054 11.068054 + 183 -2.9871562 11.068054 11.273187 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 183 -2.9871562 11.068054 11.273187 + 184 -2.9871562 11.068054 11.111613 +Loop time of 8.70228e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 184 -2.9871562 11.068054 11.111613 + 185 -2.9871562 11.068054 11.071642 +Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 185 -2.9871562 11.068054 11.071642 + 186 -2.9871562 11.068054 11.100653 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 186 -2.9871562 11.068054 11.100653 + 187 -2.9871562 11.068054 11.142136 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 187 -2.9871562 11.068054 11.142136 + 188 -2.9871562 11.068054 11.008957 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 11.0089568131483 +run 1 pre no post no +Step emin elast PotEng + 188 -2.9871562 11.008957 11.008957 + 189 -2.9871562 11.008957 11.008737 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 11.0087367457311 +run 1 pre no post no +Step emin elast PotEng + 189 -2.9871562 11.008737 11.008737 + 190 -2.9871562 11.008737 10.999643 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 10.9996433273003 +run 1 pre no post no +Step emin elast PotEng + 190 -2.9871562 10.999643 10.999643 + 191 -2.9871562 10.999643 11.039888 +Loop time of 9.91821e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 191 -2.9871562 10.999643 11.039888 + 192 -2.9871562 10.999643 10.998142 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 10.9981417878159 +run 1 pre no post no +Step emin elast PotEng + 192 -2.9871562 10.998142 10.998142 + 193 -2.9871562 10.998142 11.010426 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 193 -2.9871562 10.998142 11.010426 + 194 -2.9871562 10.998142 11.401481 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 194 -2.9871562 10.998142 11.401481 + 195 -2.9871562 10.998142 11.669346 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 195 -2.9871562 10.998142 11.669346 + 196 -2.9871562 10.998142 11.489185 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 196 -2.9871562 10.998142 11.489185 + 197 -2.9871562 10.998142 11.078141 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 197 -2.9871562 10.998142 11.078141 + 198 -2.9871562 10.998142 11.014032 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 198 -2.9871562 10.998142 11.014032 + 199 -2.9871562 10.998142 14.13721 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 199 -2.9871562 10.998142 14.13721 + 200 -2.9871562 10.998142 11.060696 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 200 -2.9871562 10.998142 11.060696 + 201 -2.9871562 10.998142 11.00526 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 201 -2.9871562 10.998142 11.00526 + 202 -2.9871562 10.998142 10.978363 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 10.978362506222 +run 1 pre no post no +Step emin elast PotEng + 202 -2.9871562 10.978363 10.978363 + 203 -2.9871562 10.978363 10.997887 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 203 -2.9871562 10.978363 10.997887 + 204 -2.9871562 10.978363 13.953699 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 204 -2.9871562 10.978363 13.953699 + 205 -2.9871562 10.978363 10.999326 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 205 -2.9871562 10.978363 10.999326 + 206 -2.9871562 10.978363 11.053874 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 206 -2.9871562 10.978363 11.053874 + 207 -2.9871562 10.978363 10.736304 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 10.7363042889002 +run 1 pre no post no +Step emin elast PotEng + 207 -2.9871562 10.736304 10.736304 + 208 -2.9871562 10.736304 10.788912 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 208 -2.9871562 10.736304 10.788912 + 209 -2.9871562 10.736304 10.737022 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 209 -2.9871562 10.736304 10.737022 + 210 -2.9871562 10.736304 10.99485 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 210 -2.9871562 10.736304 10.99485 + 211 -2.9871562 10.736304 11.132475 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 211 -2.9871562 10.736304 11.132475 + 212 -2.9871562 10.736304 10.755007 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 212 -2.9871562 10.736304 10.755007 + 213 -2.9871562 10.736304 12.476437 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 213 -2.9871562 10.736304 12.476437 + 214 -2.9871562 10.736304 10.760095 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 214 -2.9871562 10.736304 10.760095 + 215 -2.9871562 10.736304 10.74091 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 215 -2.9871562 10.736304 10.74091 + 216 -2.9871562 10.736304 10.792787 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 216 -2.9871562 10.736304 10.792787 + 217 -2.9871562 10.736304 13.830235 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 217 -2.9871562 10.736304 13.830235 + 218 -2.9871562 10.736304 10.876057 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 218 -2.9871562 10.736304 10.876057 + 219 -2.9871562 10.736304 10.707349 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 10.7073494529312 +run 1 pre no post no +Step emin elast PotEng + 219 -2.9871562 10.707349 10.707349 + 220 -2.9871562 10.707349 10.848699 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 220 -2.9871562 10.707349 10.848699 + 221 -2.9871562 10.707349 10.001678 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 10.0016784569074 +run 1 pre no post no +Step emin elast PotEng + 221 -2.9871562 10.001678 10.001678 + 222 -2.9871562 10.001678 9.9511813 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.95118126791516 +run 1 pre no post no +Step emin elast PotEng + 222 -2.9871562 9.9511813 9.9511813 + 223 -2.9871562 9.9511813 10.164696 +Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 223 -2.9871562 9.9511813 10.164696 + 224 -2.9871562 9.9511813 9.595828 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.59582801222034 +run 1 pre no post no +Step emin elast PotEng + 224 -2.9871562 9.595828 9.595828 + 225 -2.9871562 9.595828 9.6051448 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 225 -2.9871562 9.595828 9.6051448 + 226 -2.9871562 9.595828 9.7980206 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 226 -2.9871562 9.595828 9.7980206 + 227 -2.9871562 9.595828 9.2422837 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.24228366267466 +run 1 pre no post no +Step emin elast PotEng + 227 -2.9871562 9.2422837 9.2422837 + 228 -2.9871562 9.2422837 9.2436598 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 228 -2.9871562 9.2422837 9.2436598 + 229 -2.9871562 9.2422837 9.2479928 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 229 -2.9871562 9.2422837 9.2479928 + 230 -2.9871562 9.2422837 10.548468 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 230 -2.9871562 9.2422837 10.548468 + 231 -2.9871562 9.2422837 9.2890658 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 231 -2.9871562 9.2422837 9.2890658 + 232 -2.9871562 9.2422837 9.2648361 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 232 -2.9871562 9.2422837 9.2648361 + 233 -2.9871562 9.2422837 9.2283564 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.22835644397925 +run 1 pre no post no +Step emin elast PotEng + 233 -2.9871562 9.2283564 9.2283564 + 234 -2.9871562 9.2283564 9.2981346 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 234 -2.9871562 9.2283564 9.2981346 + 235 -2.9871562 9.2283564 9.2459611 +Loop time of 9.01222e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 235 -2.9871562 9.2283564 9.2459611 + 236 -2.9871562 9.2283564 9.2052359 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.20523593950157 +run 1 pre no post no +Step emin elast PotEng + 236 -2.9871562 9.2052359 9.2052359 + 237 -2.9871562 9.2052359 9.6093044 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 237 -2.9871562 9.2052359 9.6093044 + 238 -2.9871562 9.2052359 9.2115359 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 238 -2.9871562 9.2052359 9.2115359 + 239 -2.9871562 9.2052359 9.2646195 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 239 -2.9871562 9.2052359 9.2646195 + 240 -2.9871562 9.2052359 9.1840145 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.18401445212419 +run 1 pre no post no +Step emin elast PotEng + 240 -2.9871562 9.1840145 9.1840145 + 241 -2.9871562 9.1840145 9.1197054 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.11970539254624 +run 1 pre no post no +Step emin elast PotEng + 241 -2.9871562 9.1197054 9.1197054 + 242 -2.9871562 9.1197054 9.1160129 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.11601292573883 +run 1 pre no post no +Step emin elast PotEng + 242 -2.9871562 9.1160129 9.1160129 + 243 -2.9871562 9.1160129 9.1187783 +Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 243 -2.9871562 9.1160129 9.1187783 + 244 -2.9871562 9.1160129 9.0514419 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.05144192636111 +run 1 pre no post no +Step emin elast PotEng + 244 -2.9871562 9.0514419 9.0514419 + 245 -2.9871562 9.0514419 9.0647054 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 245 -2.9871562 9.0514419 9.0647054 + 246 -2.9871562 9.0514419 9.4142083 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 246 -2.9871562 9.0514419 9.4142083 + 247 -2.9871562 9.0514419 9.0826192 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 247 -2.9871562 9.0514419 9.0826192 + 248 -2.9871562 9.0514419 9.1922361 +Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 248 -2.9871562 9.0514419 9.1922361 + 249 -2.9871562 9.0514419 9.0431312 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.04313121645031 +run 1 pre no post no +Step emin elast PotEng + 249 -2.9871562 9.0431312 9.0431312 + 250 -2.9871562 9.0431312 9.2397612 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 250 -2.9871562 9.0431312 9.2397612 + 251 -2.9871562 9.0431312 10.162177 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 251 -2.9871562 9.0431312 10.162177 + 252 -2.9871562 9.0431312 9.0639723 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 252 -2.9871562 9.0431312 9.0639723 + 253 -2.9871562 9.0431312 9.0488366 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 253 -2.9871562 9.0431312 9.0488366 + 254 -2.9871562 9.0431312 9.0153578 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.01535784733353 +run 1 pre no post no +Step emin elast PotEng + 254 -2.9871562 9.0153578 9.0153578 + 255 -2.9871562 9.0153578 9.0417298 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 255 -2.9871562 9.0153578 9.0417298 + 256 -2.9871562 9.0153578 9.0173229 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 256 -2.9871562 9.0153578 9.0173229 + 257 -2.9871562 9.0153578 9.0015862 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 9.00158620987903 +run 1 pre no post no +Step emin elast PotEng + 257 -2.9871562 9.0015862 9.0015862 + 258 -2.9871562 9.0015862 8.4110583 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 8.41105830038879 +run 1 pre no post no +Step emin elast PotEng + 258 -2.9871562 8.4110583 8.4110583 + 259 -2.9871562 8.4110583 8.5659389 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 259 -2.9871562 8.4110583 8.5659389 + 260 -2.9871562 8.4110583 8.408087 +Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 8.40808697704375 +run 1 pre no post no +Step emin elast PotEng + 260 -2.9871562 8.408087 8.408087 + 261 -2.9871562 8.408087 8.4471764 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 261 -2.9871562 8.408087 8.4471764 + 262 -2.9871562 8.408087 7.5089224 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.50892240162759 +run 1 pre no post no +Step emin elast PotEng + 262 -2.9871562 7.5089224 7.5089224 + 263 -2.9871562 7.5089224 7.516341 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 263 -2.9871562 7.5089224 7.516341 + 264 -2.9871562 7.5089224 7.7734218 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 264 -2.9871562 7.5089224 7.7734218 + 265 -2.9871562 7.5089224 7.5049826 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.5049826295197 +run 1 pre no post no +Step emin elast PotEng + 265 -2.9871562 7.5049826 7.5049826 + 266 -2.9871562 7.5049826 7.5829731 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 266 -2.9871562 7.5049826 7.5829731 + 267 -2.9871562 7.5049826 7.368635 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.36863495698967 +run 1 pre no post no +Step emin elast PotEng + 267 -2.9871562 7.368635 7.368635 + 268 -2.9871562 7.368635 7.3692289 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.3692289074622 +run 1 pre no post no +Step emin elast PotEng + 268 -2.9871562 7.3692289 7.3692289 + 269 -2.9871562 7.3692289 10.274657 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 269 -2.9871562 7.3692289 10.274657 + 270 -2.9871562 7.3692289 7.3848186 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 270 -2.9871562 7.3692289 7.3848186 + 271 -2.9871562 7.3692289 7.6896668 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 271 -2.9871562 7.3692289 7.6896668 + 272 -2.9871562 7.3692289 7.3839187 +Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 272 -2.9871562 7.3692289 7.3839187 + 273 -2.9871562 7.3692289 7.3380925 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.33809246539302 +run 1 pre no post no +Step emin elast PotEng + 273 -2.9871562 7.3380925 7.3380925 + 274 -2.9871562 7.3380925 8.272154 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 274 -2.9871562 7.3380925 8.272154 + 275 -2.9871562 7.3380925 7.3272092 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.32720919655503 +run 1 pre no post no +Step emin elast PotEng + 275 -2.9871562 7.3272092 7.3272092 + 276 -2.9871562 7.3272092 7.3311829 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 276 -2.9871562 7.3272092 7.3311829 + 277 -2.9871562 7.3272092 7.4812634 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 277 -2.9871562 7.3272092 7.4812634 + 278 -2.9871562 7.3272092 7.3330244 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 278 -2.9871562 7.3272092 7.3330244 + 279 -2.9871562 7.3272092 7.3552676 +Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 279 -2.9871562 7.3272092 7.3552676 + 280 -2.9871562 7.3272092 7.3133354 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.31333538420165 +run 1 pre no post no +Step emin elast PotEng + 280 -2.9871562 7.3133354 7.3133354 + 281 -2.9871562 7.3133354 7.7706215 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 281 -2.9871562 7.3133354 7.7706215 + 282 -2.9871562 7.3133354 7.3484805 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 282 -2.9871562 7.3133354 7.3484805 + 283 -2.9871562 7.3133354 7.4195799 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 283 -2.9871562 7.3133354 7.4195799 + 284 -2.9871562 7.3133354 7.503904 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 284 -2.9871562 7.3133354 7.503904 + 285 -2.9871562 7.3133354 7.3926993 +Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 285 -2.9871562 7.3133354 7.3926993 + 286 -2.9871562 7.3133354 7.3517131 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 286 -2.9871562 7.3133354 7.3517131 + 287 -2.9871562 7.3133354 7.4430674 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 287 -2.9871562 7.3133354 7.4430674 + 288 -2.9871562 7.3133354 7.2543438 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.25434382397944 +run 1 pre no post no +Step emin elast PotEng + 288 -2.9871562 7.2543438 7.2543438 + 289 -2.9871562 7.2543438 7.2734834 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 289 -2.9871562 7.2543438 7.2734834 + 290 -2.9871562 7.2543438 7.3820372 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 290 -2.9871562 7.2543438 7.3820372 + 291 -2.9871562 7.2543438 7.264358 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 291 -2.9871562 7.2543438 7.264358 + 292 -2.9871562 7.2543438 7.78757 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 292 -2.9871562 7.2543438 7.78757 + 293 -2.9871562 7.2543438 7.4421737 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 293 -2.9871562 7.2543438 7.4421737 + 294 -2.9871562 7.2543438 7.246116 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.2461159528009 +run 1 pre no post no +Step emin elast PotEng + 294 -2.9871562 7.246116 7.246116 + 295 -2.9871562 7.246116 7.2460761 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.24607608971169 +run 1 pre no post no +Step emin elast PotEng + 295 -2.9871562 7.2460761 7.2460761 + 296 -2.9871562 7.2460761 7.2466406 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.2466405547445 +run 1 pre no post no +Step emin elast PotEng + 296 -2.9871562 7.2466406 7.2466406 + 297 -2.9871562 7.2466406 7.167752 +Loop time of 4.91142e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.16775201171196 +run 1 pre no post no +Step emin elast PotEng + 297 -2.9871562 7.167752 7.167752 + 298 -2.9871562 7.167752 7.2186508 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 298 -2.9871562 7.167752 7.2186508 + 299 -2.9871562 7.167752 7.2206449 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 299 -2.9871562 7.167752 7.2206449 + 300 -2.9871562 7.167752 7.1256351 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.12563507795296 +run 1 pre no post no +Step emin elast PotEng + 300 -2.9871562 7.1256351 7.1256351 + 301 -2.9871562 7.1256351 7.1453953 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 301 -2.9871562 7.1256351 7.1453953 + 302 -2.9871562 7.1256351 7.1388369 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 302 -2.9871562 7.1256351 7.1388369 + 303 -2.9871562 7.1256351 7.1569155 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 303 -2.9871562 7.1256351 7.1569155 + 304 -2.9871562 7.1256351 7.1017795 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.10177947448999 +run 1 pre no post no +Step emin elast PotEng + 304 -2.9871562 7.1017795 7.1017795 + 305 -2.9871562 7.1017795 7.4624579 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 305 -2.9871562 7.1017795 7.4624579 + 306 -2.9871562 7.1017795 7.1805578 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 306 -2.9871562 7.1017795 7.1805578 + 307 -2.9871562 7.1017795 7.1028794 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 307 -2.9871562 7.1017795 7.1028794 + 308 -2.9871562 7.1017795 7.1079549 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 308 -2.9871562 7.1017795 7.1079549 + 309 -2.9871562 7.1017795 7.1085264 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 309 -2.9871562 7.1017795 7.1085264 + 310 -2.9871562 7.1017795 7.3359827 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 310 -2.9871562 7.1017795 7.3359827 + 311 -2.9871562 7.1017795 7.0977442 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.09774421058079 +run 1 pre no post no +Step emin elast PotEng + 311 -2.9871562 7.0977442 7.0977442 + 312 -2.9871562 7.0977442 7.1207981 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 312 -2.9871562 7.0977442 7.1207981 + 313 -2.9871562 7.0977442 7.1574358 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 313 -2.9871562 7.0977442 7.1574358 + 314 -2.9871562 7.0977442 7.0978773 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.09787730775283 +run 1 pre no post no +Step emin elast PotEng + 314 -2.9871562 7.0978773 7.0978773 + 315 -2.9871562 7.0978773 7.0881437 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.08814367482684 +run 1 pre no post no +Step emin elast PotEng + 315 -2.9871562 7.0881437 7.0881437 + 316 -2.9871562 7.0881437 7.2563343 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 316 -2.9871562 7.0881437 7.2563343 + 317 -2.9871562 7.0881437 7.1178678 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 317 -2.9871562 7.0881437 7.1178678 + 318 -2.9871562 7.0881437 7.1320033 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 318 -2.9871562 7.0881437 7.1320033 + 319 -2.9871562 7.0881437 7.0900062 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 319 -2.9871562 7.0881437 7.0900062 + 320 -2.9871562 7.0881437 7.1033197 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 320 -2.9871562 7.0881437 7.1033197 + 321 -2.9871562 7.0881437 7.0935311 +Loop time of 4.48227e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 321 -2.9871562 7.0881437 7.0935311 + 322 -2.9871562 7.0881437 7.1705141 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 322 -2.9871562 7.0881437 7.1705141 + 323 -2.9871562 7.0881437 7.076951 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.0769509954852 +run 1 pre no post no +Step emin elast PotEng + 323 -2.9871562 7.076951 7.076951 + 324 -2.9871562 7.076951 7.0038524 +Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 7.00385238208576 +run 1 pre no post no +Step emin elast PotEng + 324 -2.9871562 7.0038524 7.0038524 + 325 -2.9871562 7.0038524 7.1148714 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 325 -2.9871562 7.0038524 7.1148714 + 326 -2.9871562 7.0038524 7.7520413 +Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 326 -2.9871562 7.0038524 7.7520413 + 327 -2.9871562 7.0038524 7.0548239 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 327 -2.9871562 7.0038524 7.0548239 + 328 -2.9871562 7.0038524 7.0225863 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 328 -2.9871562 7.0038524 7.0225863 + 329 -2.9871562 7.0038524 7.011866 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 329 -2.9871562 7.0038524 7.011866 + 330 -2.9871562 7.0038524 7.0239555 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 330 -2.9871562 7.0038524 7.0239555 + 331 -2.9871562 7.0038524 7.0446317 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 331 -2.9871562 7.0038524 7.0446317 + 332 -2.9871562 7.0038524 7.1463513 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 332 -2.9871562 7.0038524 7.1463513 + 333 -2.9871562 7.0038524 7.2078039 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 333 -2.9871562 7.0038524 7.2078039 + 334 -2.9871562 7.0038524 7.2724691 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 334 -2.9871562 7.0038524 7.2724691 + 335 -2.9871562 7.0038524 7.0605868 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 335 -2.9871562 7.0038524 7.0605868 + 336 -2.9871562 7.0038524 6.9570718 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 6.95707183153569 +run 1 pre no post no +Step emin elast PotEng + 336 -2.9871562 6.9570718 6.9570718 + 337 -2.9871562 6.9570718 6.9616812 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 337 -2.9871562 6.9570718 6.9616812 + 338 -2.9871562 6.9570718 7.0733719 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 338 -2.9871562 6.9570718 7.0733719 + 339 -2.9871562 6.9570718 6.8707295 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 6.87072947276738 +run 1 pre no post no +Step emin elast PotEng + 339 -2.9871562 6.8707295 6.8707295 + 340 -2.9871562 6.8707295 6.9936487 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 340 -2.9871562 6.8707295 6.9936487 + 341 -2.9871562 6.8707295 6.9415415 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 341 -2.9871562 6.8707295 6.9415415 + 342 -2.9871562 6.8707295 6.938745 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 342 -2.9871562 6.8707295 6.938745 + 343 -2.9871562 6.8707295 7.4144286 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 343 -2.9871562 6.8707295 7.4144286 + 344 -2.9871562 6.8707295 6.8773558 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 344 -2.9871562 6.8707295 6.8773558 + 345 -2.9871562 6.8707295 6.8689245 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 6.86892452306218 +run 1 pre no post no +Step emin elast PotEng + 345 -2.9871562 6.8689245 6.8689245 + 346 -2.9871562 6.8689245 6.8680319 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 6.8680319498598 +run 1 pre no post no +Step emin elast PotEng + 346 -2.9871562 6.8680319 6.8680319 + 347 -2.9871562 6.8680319 6.8973529 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 347 -2.9871562 6.8680319 6.8973529 + 348 -2.9871562 6.8680319 6.9181025 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 348 -2.9871562 6.8680319 6.9181025 + 349 -2.9871562 6.8680319 6.8761405 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 349 -2.9871562 6.8680319 6.8761405 + 350 -2.9871562 6.8680319 6.1857408 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 6.18574077231652 +run 1 pre no post no +Step emin elast PotEng + 350 -2.9871562 6.1857408 6.1857408 + 351 -2.9871562 6.1857408 6.3918776 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 351 -2.9871562 6.1857408 6.3918776 + 352 -2.9871562 6.1857408 6.1968853 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 352 -2.9871562 6.1857408 6.1968853 + 353 -2.9871562 6.1857408 6.2662585 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 353 -2.9871562 6.1857408 6.2662585 + 354 -2.9871562 6.1857408 5.6604027 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 5.66040273125994 +run 1 pre no post no +Step emin elast PotEng + 354 -2.9871562 5.6604027 5.6604027 + 355 -2.9871562 5.6604027 5.7316794 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 355 -2.9871562 5.6604027 5.7316794 + 356 -2.9871562 5.6604027 5.6495666 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 5.64956661849867 +run 1 pre no post no +Step emin elast PotEng + 356 -2.9871562 5.6495666 5.6495666 + 357 -2.9871562 5.6495666 5.6669907 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 357 -2.9871562 5.6495666 5.6669907 + 358 -2.9871562 5.6495666 5.9065444 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 358 -2.9871562 5.6495666 5.9065444 + 359 -2.9871562 5.6495666 6.0187949 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 359 -2.9871562 5.6495666 6.0187949 + 360 -2.9871562 5.6495666 5.7014481 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 360 -2.9871562 5.6495666 5.7014481 + 361 -2.9871562 5.6495666 5.6965277 +Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 361 -2.9871562 5.6495666 5.6965277 + 362 -2.9871562 5.6495666 5.7001728 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 362 -2.9871562 5.6495666 5.7001728 + 363 -2.9871562 5.6495666 5.6529965 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 363 -2.9871562 5.6495666 5.6529965 + 364 -2.9871562 5.6495666 5.689041 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 364 -2.9871562 5.6495666 5.689041 + 365 -2.9871562 5.6495666 5.6748857 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 365 -2.9871562 5.6495666 5.6748857 + 366 -2.9871562 5.6495666 5.819752 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 366 -2.9871562 5.6495666 5.819752 + 367 -2.9871562 5.6495666 5.6480822 +Loop time of 0.012898 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 5.64808219809132 +run 1 pre no post no +Step emin elast PotEng + 367 -2.9871562 5.6480822 5.6480822 + 368 -2.9871562 5.6480822 5.6555953 +Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 368 -2.9871562 5.6480822 5.6555953 + 369 -2.9871562 5.6480822 5.6367615 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 5.63676146530801 +run 1 pre no post no +Step emin elast PotEng + 369 -2.9871562 5.6367615 5.6367615 + 370 -2.9871562 5.6367615 5.6404446 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 370 -2.9871562 5.6367615 5.6404446 + 371 -2.9871562 5.6367615 5.7068049 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 371 -2.9871562 5.6367615 5.7068049 + 372 -2.9871562 5.6367615 5.6427525 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 372 -2.9871562 5.6367615 5.6427525 + 373 -2.9871562 5.6367615 5.6601089 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 373 -2.9871562 5.6367615 5.6601089 + 374 -2.9871562 5.6367615 5.637624 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 374 -2.9871562 5.6367615 5.637624 + 375 -2.9871562 5.6367615 5.6383613 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 375 -2.9871562 5.6367615 5.6383613 + 376 -2.9871562 5.6367615 6.3023911 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 376 -2.9871562 5.6367615 6.3023911 + 377 -2.9871562 5.6367615 5.6236892 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 5.62368921094677 +run 1 pre no post no +Step emin elast PotEng + 377 -2.9871562 5.6236892 5.6236892 + 378 -2.9871562 5.6236892 5.8784699 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 378 -2.9871562 5.6236892 5.8784699 + 379 -2.9871562 5.6236892 5.6532239 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 379 -2.9871562 5.6236892 5.6532239 + 380 -2.9871562 5.6236892 5.6307542 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 380 -2.9871562 5.6236892 5.6307542 + 381 -2.9871562 5.6236892 5.7960472 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 381 -2.9871562 5.6236892 5.7960472 + 382 -2.9871562 5.6236892 5.6263323 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 382 -2.9871562 5.6236892 5.6263323 + 383 -2.9871562 5.6236892 5.6326754 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 383 -2.9871562 5.6236892 5.6326754 + 384 -2.9871562 5.6236892 5.8288391 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 384 -2.9871562 5.6236892 5.8288391 + 385 -2.9871562 5.6236892 8.8498273 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 385 -2.9871562 5.6236892 8.8498273 + 386 -2.9871562 5.6236892 5.6500993 +Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 386 -2.9871562 5.6236892 5.6500993 + 387 -2.9871562 5.6236892 5.6539947 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 387 -2.9871562 5.6236892 5.6539947 + 388 -2.9871562 5.6236892 5.6082964 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 5.60829640137186 +run 1 pre no post no +Step emin elast PotEng + 388 -2.9871562 5.6082964 5.6082964 + 389 -2.9871562 5.6082964 4.1503604 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 4.15036044024207 +run 1 pre no post no +Step emin elast PotEng + 389 -2.9871562 4.1503604 4.1503604 + 390 -2.9871562 4.1503604 4.1348032 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 4.13480321325807 +run 1 pre no post no +Step emin elast PotEng + 390 -2.9871562 4.1348032 4.1348032 + 391 -2.9871562 4.1348032 7.1737971 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 391 -2.9871562 4.1348032 7.1737971 + 392 -2.9871562 4.1348032 4.0933925 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 4.09339246739245 +run 1 pre no post no +Step emin elast PotEng + 392 -2.9871562 4.0933925 4.0933925 + 393 -2.9871562 4.0933925 4.0778327 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 4.07783273968703 +run 1 pre no post no +Step emin elast PotEng + 393 -2.9871562 4.0778327 4.0778327 + 394 -2.9871562 4.0778327 4.1133492 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 394 -2.9871562 4.0778327 4.1133492 + 395 -2.9871562 4.0778327 6.3050945 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 395 -2.9871562 4.0778327 6.3050945 + 396 -2.9871562 4.0778327 4.0210235 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 4.02102347453105 +run 1 pre no post no +Step emin elast PotEng + 396 -2.9871562 4.0210235 4.0210235 + 397 -2.9871562 4.0210235 4.0464936 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 397 -2.9871562 4.0210235 4.0464936 + 398 -2.9871562 4.0210235 4.0314127 +Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 398 -2.9871562 4.0210235 4.0314127 + 399 -2.9871562 4.0210235 4.0693148 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 399 -2.9871562 4.0210235 4.0693148 + 400 -2.9871562 4.0210235 4.0210881 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 4.02108810401389 +run 1 pre no post no +Step emin elast PotEng + 400 -2.9871562 4.0210881 4.0210881 + 401 -2.9871562 4.0210881 4.5348039 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 401 -2.9871562 4.0210881 4.5348039 + 402 -2.9871562 4.0210881 4.0340663 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 402 -2.9871562 4.0210881 4.0340663 + 403 -2.9871562 4.0210881 4.0150819 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 4.01508193425852 +run 1 pre no post no +Step emin elast PotEng + 403 -2.9871562 4.0150819 4.0150819 + 404 -2.9871562 4.0150819 4.0175644 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 404 -2.9871562 4.0150819 4.0175644 + 405 -2.9871562 4.0150819 4.0329056 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 405 -2.9871562 4.0150819 4.0329056 + 406 -2.9871562 4.0150819 4.0374781 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 406 -2.9871562 4.0150819 4.0374781 + 407 -2.9871562 4.0150819 4.0474192 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 407 -2.9871562 4.0150819 4.0474192 + 408 -2.9871562 4.0150819 4.2543261 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 408 -2.9871562 4.0150819 4.2543261 + 409 -2.9871562 4.0150819 4.0258873 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 409 -2.9871562 4.0150819 4.0258873 + 410 -2.9871562 4.0150819 4.0171146 +Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 410 -2.9871562 4.0150819 4.0171146 + 411 -2.9871562 4.0150819 4.0130155 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 4.01301546227236 +run 1 pre no post no +Step emin elast PotEng + 411 -2.9871562 4.0130155 4.0130155 + 412 -2.9871562 4.0130155 4.0226171 +Loop time of 0.0128262 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 412 -2.9871562 4.0130155 4.0226171 + 413 -2.9871562 4.0130155 3.9539625 +Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.95396250845061 +run 1 pre no post no +Step emin elast PotEng + 413 -2.9871562 3.9539625 3.9539625 + 414 -2.9871562 3.9539625 3.9706224 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 414 -2.9871562 3.9539625 3.9706224 + 415 -2.9871562 3.9539625 3.832185 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.83218499843807 +run 1 pre no post no +Step emin elast PotEng + 415 -2.9871562 3.832185 3.832185 + 416 -2.9871562 3.832185 3.8981201 +Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 416 -2.9871562 3.832185 3.8981201 + 417 -2.9871562 3.832185 3.8323665 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 417 -2.9871562 3.832185 3.8323665 + 418 -2.9871562 3.832185 3.8989089 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 418 -2.9871562 3.832185 3.8989089 + 419 -2.9871562 3.832185 3.830663 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.83066304428505 +run 1 pre no post no +Step emin elast PotEng + 419 -2.9871562 3.830663 3.830663 + 420 -2.9871562 3.830663 3.8976345 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 420 -2.9871562 3.830663 3.8976345 + 421 -2.9871562 3.830663 3.9174665 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 421 -2.9871562 3.830663 3.9174665 + 422 -2.9871562 3.830663 3.8180804 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.81808037537894 +run 1 pre no post no +Step emin elast PotEng + 422 -2.9871562 3.8180804 3.8180804 + 423 -2.9871562 3.8180804 3.8347675 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 423 -2.9871562 3.8180804 3.8347675 + 424 -2.9871562 3.8180804 3.9904468 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 424 -2.9871562 3.8180804 3.9904468 + 425 -2.9871562 3.8180804 3.9469504 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 425 -2.9871562 3.8180804 3.9469504 + 426 -2.9871562 3.8180804 3.8222485 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 426 -2.9871562 3.8180804 3.8222485 + 427 -2.9871562 3.8180804 3.5186995 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.5186995416565 +run 1 pre no post no +Step emin elast PotEng + 427 -2.9871562 3.5186995 3.5186995 + 428 -2.9871562 3.5186995 3.5778695 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 428 -2.9871562 3.5186995 3.5778695 + 429 -2.9871562 3.5186995 3.5825843 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 429 -2.9871562 3.5186995 3.5825843 + 430 -2.9871562 3.5186995 3.5214593 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 430 -2.9871562 3.5186995 3.5214593 + 431 -2.9871562 3.5186995 3.5415203 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 431 -2.9871562 3.5186995 3.5415203 + 432 -2.9871562 3.5186995 3.5158439 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.51584386484622 +run 1 pre no post no +Step emin elast PotEng + 432 -2.9871562 3.5158439 3.5158439 + 433 -2.9871562 3.5158439 3.6642463 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 433 -2.9871562 3.5158439 3.6642463 + 434 -2.9871562 3.5158439 7.9306926 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 434 -2.9871562 3.5158439 7.9306926 + 435 -2.9871562 3.5158439 4.0891511 +Loop time of 8.51154e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 435 -2.9871562 3.5158439 4.0891511 + 436 -2.9871562 3.5158439 3.5268324 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 436 -2.9871562 3.5158439 3.5268324 + 437 -2.9871562 3.5158439 3.5065068 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.50650682975645 +run 1 pre no post no +Step emin elast PotEng + 437 -2.9871562 3.5065068 3.5065068 + 438 -2.9871562 3.5065068 3.4569935 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.45699346363692 +run 1 pre no post no +Step emin elast PotEng + 438 -2.9871562 3.4569935 3.4569935 + 439 -2.9871562 3.4569935 3.0678894 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.06788935518192 +run 1 pre no post no +Step emin elast PotEng + 439 -2.9871562 3.0678894 3.0678894 + 440 -2.9871562 3.0678894 3.0729696 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 440 -2.9871562 3.0678894 3.0729696 + 441 -2.9871562 3.0678894 3.1741476 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 441 -2.9871562 3.0678894 3.1741476 + 442 -2.9871562 3.0678894 3.1078681 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 442 -2.9871562 3.0678894 3.1078681 + 443 -2.9871562 3.0678894 3.074176 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 443 -2.9871562 3.0678894 3.074176 + 444 -2.9871562 3.0678894 3.040713 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.04071295229983 +run 1 pre no post no +Step emin elast PotEng + 444 -2.9871562 3.040713 3.040713 + 445 -2.9871562 3.040713 3.0359739 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 3.03597388567428 +run 1 pre no post no +Step emin elast PotEng + 445 -2.9871562 3.0359739 3.0359739 + 446 -2.9871562 3.0359739 3.0916925 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 446 -2.9871562 3.0359739 3.0916925 + 447 -2.9871562 3.0359739 3.0399893 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 447 -2.9871562 3.0359739 3.0399893 + 448 -2.9871562 3.0359739 3.0552946 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 448 -2.9871562 3.0359739 3.0552946 + 449 -2.9871562 3.0359739 2.8775202 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.87752018026573 +run 1 pre no post no +Step emin elast PotEng + 449 -2.9871562 2.8775202 2.8775202 + 450 -2.9871562 2.8775202 2.8802041 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 450 -2.9871562 2.8775202 2.8802041 + 451 -2.9871562 2.8775202 3.2363575 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 451 -2.9871562 2.8775202 3.2363575 + 452 -2.9871562 2.8775202 2.8764009 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.87640088651833 +run 1 pre no post no +Step emin elast PotEng + 452 -2.9871562 2.8764009 2.8764009 + 453 -2.9871562 2.8764009 2.8882877 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 453 -2.9871562 2.8764009 2.8882877 + 454 -2.9871562 2.8764009 2.5080194 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.50801943608423 +run 1 pre no post no +Step emin elast PotEng + 454 -2.9871562 2.5080194 2.5080194 + 455 -2.9871562 2.5080194 2.506997 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.50699703558281 +run 1 pre no post no +Step emin elast PotEng + 455 -2.9871562 2.506997 2.506997 + 456 -2.9871562 2.506997 2.4912386 +Loop time of 9.799e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.49123857505978 +run 1 pre no post no +Step emin elast PotEng + 456 -2.9871562 2.4912386 2.4912386 + 457 -2.9871562 2.4912386 2.4433535 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.44335352474245 +run 1 pre no post no +Step emin elast PotEng + 457 -2.9871562 2.4433535 2.4433535 + 458 -2.9871562 2.4433535 2.4768423 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 458 -2.9871562 2.4433535 2.4768423 + 459 -2.9871562 2.4433535 2.5353966 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 459 -2.9871562 2.4433535 2.5353966 + 460 -2.9871562 2.4433535 2.5432683 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 460 -2.9871562 2.4433535 2.5432683 + 461 -2.9871562 2.4433535 2.5424424 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 461 -2.9871562 2.4433535 2.5424424 + 462 -2.9871562 2.4433535 2.4490193 +Loop time of 8.08239e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 462 -2.9871562 2.4433535 2.4490193 + 463 -2.9871562 2.4433535 2.4467497 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 463 -2.9871562 2.4433535 2.4467497 + 464 -2.9871562 2.4433535 2.4374015 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.43740149434974 +run 1 pre no post no +Step emin elast PotEng + 464 -2.9871562 2.4374015 2.4374015 + 465 -2.9871562 2.4374015 2.4289281 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.42892814780119 +run 1 pre no post no +Step emin elast PotEng + 465 -2.9871562 2.4289281 2.4289281 + 466 -2.9871562 2.4289281 2.4979388 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 466 -2.9871562 2.4289281 2.4979388 + 467 -2.9871562 2.4289281 2.4927431 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 467 -2.9871562 2.4289281 2.4927431 + 468 -2.9871562 2.4289281 2.6182369 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 468 -2.9871562 2.4289281 2.6182369 + 469 -2.9871562 2.4289281 2.4253158 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.42531576130383 +run 1 pre no post no +Step emin elast PotEng + 469 -2.9871562 2.4253158 2.4253158 + 470 -2.9871562 2.4253158 2.4191553 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.41915531324092 +run 1 pre no post no +Step emin elast PotEng + 470 -2.9871562 2.4191553 2.4191553 + 471 -2.9871562 2.4191553 2.4565423 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 471 -2.9871562 2.4191553 2.4565423 + 472 -2.9871562 2.4191553 2.4170675 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.41706748649067 +run 1 pre no post no +Step emin elast PotEng + 472 -2.9871562 2.4170675 2.4170675 + 473 -2.9871562 2.4170675 2.4324178 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 473 -2.9871562 2.4170675 2.4324178 + 474 -2.9871562 2.4170675 2.437604 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 474 -2.9871562 2.4170675 2.437604 + 475 -2.9871562 2.4170675 2.4272809 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 475 -2.9871562 2.4170675 2.4272809 + 476 -2.9871562 2.4170675 2.5555548 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 476 -2.9871562 2.4170675 2.5555548 + 477 -2.9871562 2.4170675 2.3559425 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.35594246568686 +run 1 pre no post no +Step emin elast PotEng + 477 -2.9871562 2.3559425 2.3559425 + 478 -2.9871562 2.3559425 2.455786 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 478 -2.9871562 2.3559425 2.455786 + 479 -2.9871562 2.3559425 2.353866 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.35386600759151 +run 1 pre no post no +Step emin elast PotEng + 479 -2.9871562 2.353866 2.353866 + 480 -2.9871562 2.353866 2.3861352 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 480 -2.9871562 2.353866 2.3861352 + 481 -2.9871562 2.353866 2.3796741 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 481 -2.9871562 2.353866 2.3796741 + 482 -2.9871562 2.353866 2.3505433 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.3505433429691 +run 1 pre no post no +Step emin elast PotEng + 482 -2.9871562 2.3505433 2.3505433 + 483 -2.9871562 2.3505433 2.3513375 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 483 -2.9871562 2.3505433 2.3513375 + 484 -2.9871562 2.3505433 2.3745767 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 484 -2.9871562 2.3505433 2.3745767 + 485 -2.9871562 2.3505433 2.2652995 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.26529945970901 +run 1 pre no post no +Step emin elast PotEng + 485 -2.9871562 2.2652995 2.2652995 + 486 -2.9871562 2.2652995 2.2941586 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 486 -2.9871562 2.2652995 2.2941586 + 487 -2.9871562 2.2652995 2.2849033 +Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 487 -2.9871562 2.2652995 2.2849033 + 488 -2.9871562 2.2652995 2.2549626 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.25496255523041 +run 1 pre no post no +Step emin elast PotEng + 488 -2.9871562 2.2549626 2.2549626 + 489 -2.9871562 2.2549626 2.337486 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 489 -2.9871562 2.2549626 2.337486 + 490 -2.9871562 2.2549626 2.3715655 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 490 -2.9871562 2.2549626 2.3715655 + 491 -2.9871562 2.2549626 2.2417343 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.2417343251991 +run 1 pre no post no +Step emin elast PotEng + 491 -2.9871562 2.2417343 2.2417343 + 492 -2.9871562 2.2417343 2.2324772 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.23247720376366 +run 1 pre no post no +Step emin elast PotEng + 492 -2.9871562 2.2324772 2.2324772 + 493 -2.9871562 2.2324772 2.2475613 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 493 -2.9871562 2.2324772 2.2475613 + 494 -2.9871562 2.2324772 2.2571235 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 494 -2.9871562 2.2324772 2.2571235 + 495 -2.9871562 2.2324772 2.1324383 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.13243828387181 +run 1 pre no post no +Step emin elast PotEng + 495 -2.9871562 2.1324383 2.1324383 + 496 -2.9871562 2.1324383 2.1373912 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 496 -2.9871562 2.1324383 2.1373912 + 497 -2.9871562 2.1324383 2.1358367 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 497 -2.9871562 2.1324383 2.1358367 + 498 -2.9871562 2.1324383 2.1941442 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 498 -2.9871562 2.1324383 2.1941442 + 499 -2.9871562 2.1324383 2.1310312 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.13103119075133 +run 1 pre no post no +Step emin elast PotEng + 499 -2.9871562 2.1310312 2.1310312 + 500 -2.9871562 2.1310312 2.1405207 +Loop time of 9.70364e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 500 -2.9871562 2.1310312 2.1405207 + 501 -2.9871562 2.1310312 2.1281493 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.1281492666418 +run 1 pre no post no +Step emin elast PotEng + 501 -2.9871562 2.1281493 2.1281493 + 502 -2.9871562 2.1281493 2.1254587 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.12545869500971 +run 1 pre no post no +Step emin elast PotEng + 502 -2.9871562 2.1254587 2.1254587 + 503 -2.9871562 2.1254587 2.1317423 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 503 -2.9871562 2.1254587 2.1317423 + 504 -2.9871562 2.1254587 2.0648723 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.06487230127373 +run 1 pre no post no +Step emin elast PotEng + 504 -2.9871562 2.0648723 2.0648723 + 505 -2.9871562 2.0648723 2.0953438 +Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 505 -2.9871562 2.0648723 2.0953438 + 506 -2.9871562 2.0648723 2.0881344 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 506 -2.9871562 2.0648723 2.0881344 + 507 -2.9871562 2.0648723 2.0605559 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.06055592662212 +run 1 pre no post no +Step emin elast PotEng + 507 -2.9871562 2.0605559 2.0605559 + 508 -2.9871562 2.0605559 2.0637666 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 508 -2.9871562 2.0605559 2.0637666 + 509 -2.9871562 2.0605559 2.0995462 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 509 -2.9871562 2.0605559 2.0995462 + 510 -2.9871562 2.0605559 2.058641 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 2.05864098223123 +run 1 pre no post no +Step emin elast PotEng + 510 -2.9871562 2.058641 2.058641 + 511 -2.9871562 2.058641 1.9962866 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 1.99628659401311 +run 1 pre no post no +Step emin elast PotEng + 511 -2.9871562 1.9962866 1.9962866 + 512 -2.9871562 1.9962866 2.0177427 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 512 -2.9871562 1.9962866 2.0177427 + 513 -2.9871562 1.9962866 2.1426572 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 513 -2.9871562 1.9962866 2.1426572 + 514 -2.9871562 1.9962866 2.0612897 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 514 -2.9871562 1.9962866 2.0612897 + 515 -2.9871562 1.9962866 1.3610256 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 1.36102556226203 +run 1 pre no post no +Step emin elast PotEng + 515 -2.9871562 1.3610256 1.3610256 + 516 -2.9871562 1.3610256 1.3006076 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 1.30060762376766 +run 1 pre no post no +Step emin elast PotEng + 516 -2.9871562 1.3006076 1.3006076 + 517 -2.9871562 1.3006076 1.3225457 +Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 517 -2.9871562 1.3006076 1.3225457 + 518 -2.9871562 1.3006076 1.3119304 +Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 518 -2.9871562 1.3006076 1.3119304 + 519 -2.9871562 1.3006076 1.27015 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 1.27014999078219 +run 1 pre no post no +Step emin elast PotEng + 519 -2.9871562 1.27015 1.27015 + 520 -2.9871562 1.27015 1.2951331 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 520 -2.9871562 1.27015 1.2951331 + 521 -2.9871562 1.27015 1.353444 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 521 -2.9871562 1.27015 1.353444 + 522 -2.9871562 1.27015 1.2539474 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 1.25394738142558 +run 1 pre no post no +Step emin elast PotEng + 522 -2.9871562 1.2539474 1.2539474 + 523 -2.9871562 1.2539474 1.3041698 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 523 -2.9871562 1.2539474 1.3041698 + 524 -2.9871562 1.2539474 1.3829411 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 524 -2.9871562 1.2539474 1.3829411 + 525 -2.9871562 1.2539474 1.3809528 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 525 -2.9871562 1.2539474 1.3809528 + 526 -2.9871562 1.2539474 1.2679474 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 526 -2.9871562 1.2539474 1.2679474 + 527 -2.9871562 1.2539474 1.237798 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 1.23779803347668 +run 1 pre no post no +Step emin elast PotEng + 527 -2.9871562 1.237798 1.237798 + 528 -2.9871562 1.237798 1.2316925 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 1.23169245272984 +run 1 pre no post no +Step emin elast PotEng + 528 -2.9871562 1.2316925 1.2316925 + 529 -2.9871562 1.2316925 1.3400701 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 529 -2.9871562 1.2316925 1.3400701 + 530 -2.9871562 1.2316925 1.2391274 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 530 -2.9871562 1.2316925 1.2391274 + 531 -2.9871562 1.2316925 0.9960151 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.996015097979926 +run 1 pre no post no +Step emin elast PotEng + 531 -2.9871562 0.9960151 0.9960151 + 532 -2.9871562 0.9960151 1.3853184 +Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 532 -2.9871562 0.9960151 1.3853184 + 533 -2.9871562 0.9960151 1.004577 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 533 -2.9871562 0.9960151 1.004577 + 534 -2.9871562 0.9960151 0.99798204 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 534 -2.9871562 0.9960151 0.99798204 + 535 -2.9871562 0.9960151 0.95303384 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.953033839694399 +run 1 pre no post no +Step emin elast PotEng + 535 -2.9871562 0.95303384 0.95303384 + 536 -2.9871562 0.95303384 0.89554975 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.895549745379469 +run 1 pre no post no +Step emin elast PotEng + 536 -2.9871562 0.89554975 0.89554975 + 537 -2.9871562 0.89554975 0.82891132 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.828911315452624 +run 1 pre no post no +Step emin elast PotEng + 537 -2.9871562 0.82891132 0.82891132 + 538 -2.9871562 0.82891132 0.87032647 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 538 -2.9871562 0.82891132 0.87032647 + 539 -2.9871562 0.82891132 0.81382492 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.813824916271986 +run 1 pre no post no +Step emin elast PotEng + 539 -2.9871562 0.81382492 0.81382492 + 540 -2.9871562 0.81382492 0.81505628 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 540 -2.9871562 0.81382492 0.81505628 + 541 -2.9871562 0.81382492 0.71942083 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.719420831105916 +run 1 pre no post no +Step emin elast PotEng + 541 -2.9871562 0.71942083 0.71942083 + 542 -2.9871562 0.71942083 0.71512659 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.715126589054811 +run 1 pre no post no +Step emin elast PotEng + 542 -2.9871562 0.71512659 0.71512659 + 543 -2.9871562 0.71512659 0.79165342 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 543 -2.9871562 0.71512659 0.79165342 + 544 -2.9871562 0.71512659 0.7342999 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 544 -2.9871562 0.71512659 0.7342999 + 545 -2.9871562 0.71512659 0.71890784 +Loop time of 9.799e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 545 -2.9871562 0.71512659 0.71890784 + 546 -2.9871562 0.71512659 0.72350411 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 546 -2.9871562 0.71512659 0.72350411 + 547 -2.9871562 0.71512659 0.72537548 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 547 -2.9871562 0.71512659 0.72537548 + 548 -2.9871562 0.71512659 0.73472057 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 548 -2.9871562 0.71512659 0.73472057 + 549 -2.9871562 0.71512659 0.74853 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 549 -2.9871562 0.71512659 0.74853 + 550 -2.9871562 0.71512659 0.79704244 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 550 -2.9871562 0.71512659 0.79704244 + 551 -2.9871562 0.71512659 0.6866396 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.68663959599681 +run 1 pre no post no +Step emin elast PotEng + 551 -2.9871562 0.6866396 0.6866396 + 552 -2.9871562 0.6866396 0.80438414 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 552 -2.9871562 0.6866396 0.80438414 + 553 -2.9871562 0.6866396 0.69068344 +Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 553 -2.9871562 0.6866396 0.69068344 + 554 -2.9871562 0.6866396 0.72181177 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 554 -2.9871562 0.6866396 0.72181177 + 555 -2.9871562 0.6866396 0.64112036 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.641120359513701 +run 1 pre no post no +Step emin elast PotEng + 555 -2.9871562 0.64112036 0.64112036 + 556 -2.9871562 0.64112036 0.66987108 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 556 -2.9871562 0.64112036 0.66987108 + 557 -2.9871562 0.64112036 0.6066946 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.606694600281462 +run 1 pre no post no +Step emin elast PotEng + 557 -2.9871562 0.6066946 0.6066946 + 558 -2.9871562 0.6066946 0.63284899 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 558 -2.9871562 0.6066946 0.63284899 + 559 -2.9871562 0.6066946 0.60382239 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.603822385530907 +run 1 pre no post no +Step emin elast PotEng + 559 -2.9871562 0.60382239 0.60382239 + 560 -2.9871562 0.60382239 0.66066444 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 560 -2.9871562 0.60382239 0.66066444 + 561 -2.9871562 0.60382239 0.6254059 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 561 -2.9871562 0.60382239 0.6254059 + 562 -2.9871562 0.60382239 0.59892962 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.598929615256625 +run 1 pre no post no +Step emin elast PotEng + 562 -2.9871562 0.59892962 0.59892962 + 563 -2.9871562 0.59892962 0.59301416 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.593014156504927 +run 1 pre no post no +Step emin elast PotEng + 563 -2.9871562 0.59301416 0.59301416 + 564 -2.9871562 0.59301416 0.59787865 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 564 -2.9871562 0.59301416 0.59787865 + 565 -2.9871562 0.59301416 0.59954537 +Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 565 -2.9871562 0.59301416 0.59954537 + 566 -2.9871562 0.59301416 0.63299585 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 566 -2.9871562 0.59301416 0.63299585 + 567 -2.9871562 0.59301416 0.61774849 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 567 -2.9871562 0.59301416 0.61774849 + 568 -2.9871562 0.59301416 0.63319504 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 568 -2.9871562 0.59301416 0.63319504 + 569 -2.9871562 0.59301416 0.60012887 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 569 -2.9871562 0.59301416 0.60012887 + 570 -2.9871562 0.59301416 0.62792096 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 570 -2.9871562 0.59301416 0.62792096 + 571 -2.9871562 0.59301416 0.58077671 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.580776711581595 +run 1 pre no post no +Step emin elast PotEng + 571 -2.9871562 0.58077671 0.58077671 + 572 -2.9871562 0.58077671 0.5892475 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 572 -2.9871562 0.58077671 0.5892475 + 573 -2.9871562 0.58077671 0.59144894 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 573 -2.9871562 0.58077671 0.59144894 + 574 -2.9871562 0.58077671 0.76630503 +Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 574 -2.9871562 0.58077671 0.76630503 + 575 -2.9871562 0.58077671 0.59983745 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 575 -2.9871562 0.58077671 0.59983745 + 576 -2.9871562 0.58077671 0.61272383 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 576 -2.9871562 0.58077671 0.61272383 + 577 -2.9871562 0.58077671 0.59651898 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 577 -2.9871562 0.58077671 0.59651898 + 578 -2.9871562 0.58077671 0.52213944 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.522139437027096 +run 1 pre no post no +Step emin elast PotEng + 578 -2.9871562 0.52213944 0.52213944 + 579 -2.9871562 0.52213944 0.52204073 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.522040730827609 +run 1 pre no post no +Step emin elast PotEng + 579 -2.9871562 0.52204073 0.52204073 + 580 -2.9871562 0.52204073 0.51589702 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.515897015219151 +run 1 pre no post no +Step emin elast PotEng + 580 -2.9871562 0.51589702 0.51589702 + 581 -2.9871562 0.51589702 0.5176398 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 581 -2.9871562 0.51589702 0.5176398 + 582 -2.9871562 0.51589702 0.60224022 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 582 -2.9871562 0.51589702 0.60224022 + 583 -2.9871562 0.51589702 0.13592826 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.135928256121204 +run 1 pre no post no +Step emin elast PotEng + 583 -2.9871562 0.13592826 0.13592826 + 584 -2.9871562 0.13592826 0.13352119 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.133521191383781 +run 1 pre no post no +Step emin elast PotEng + 584 -2.9871562 0.13352119 0.13352119 + 585 -2.9871562 0.13352119 0.15100546 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 585 -2.9871562 0.13352119 0.15100546 + 586 -2.9871562 0.13352119 0.13447162 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 586 -2.9871562 0.13352119 0.13447162 + 587 -2.9871562 0.13352119 0.12712676 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.127126758294067 +run 1 pre no post no +Step emin elast PotEng + 587 -2.9871562 0.12712676 0.12712676 + 588 -2.9871562 0.12712676 0.16062652 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 588 -2.9871562 0.12712676 0.16062652 + 589 -2.9871562 0.12712676 0.3182986 +Loop time of 0.000108004 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 589 -2.9871562 0.12712676 0.3182986 + 590 -2.9871562 0.12712676 0.13672365 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 590 -2.9871562 0.12712676 0.13672365 + 591 -2.9871562 0.12712676 0.21489227 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 591 -2.9871562 0.12712676 0.21489227 + 592 -2.9871562 0.12712676 0.11626722 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.116267222116635 +run 1 pre no post no +Step emin elast PotEng + 592 -2.9871562 0.11626722 0.11626722 + 593 -2.9871562 0.11626722 0.1343249 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 593 -2.9871562 0.11626722 0.1343249 + 594 -2.9871562 0.11626722 0.17819944 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 594 -2.9871562 0.11626722 0.17819944 + 595 -2.9871562 0.11626722 0.23161861 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 595 -2.9871562 0.11626722 0.23161861 + 596 -2.9871562 0.11626722 0.080107142 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.0801071417801899 +run 1 pre no post no +Step emin elast PotEng + 596 -2.9871562 0.080107142 0.080107142 + 597 -2.9871562 0.080107142 0.090339836 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 597 -2.9871562 0.080107142 0.090339836 + 598 -2.9871562 0.080107142 0.089152857 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 598 -2.9871562 0.080107142 0.089152857 + 599 -2.9871562 0.080107142 0.15092254 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 599 -2.9871562 0.080107142 0.15092254 + 600 -2.9871562 0.080107142 0.086007968 +Loop time of 5.19753e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 600 -2.9871562 0.080107142 0.086007968 + 601 -2.9871562 0.080107142 0.096330942 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 601 -2.9871562 0.080107142 0.096330942 + 602 -2.9871562 0.080107142 0.089462198 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 602 -2.9871562 0.080107142 0.089462198 + 603 -2.9871562 0.080107142 0.064504465 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.0645044653334001 +run 1 pre no post no +Step emin elast PotEng + 603 -2.9871562 0.064504465 0.064504465 + 604 -2.9871562 0.064504465 0.098809174 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 604 -2.9871562 0.064504465 0.098809174 + 605 -2.9871562 0.064504465 0.15908772 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 605 -2.9871562 0.064504465 0.15908772 + 606 -2.9871562 0.064504465 0.064483469 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.0644834689412352 +run 1 pre no post no +Step emin elast PotEng + 606 -2.9871562 0.064483469 0.064483469 + 607 -2.9871562 0.064483469 0.048526282 +Loop time of 8.08239e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 0.0485262820301611 +run 1 pre no post no +Step emin elast PotEng + 607 -2.9871562 0.048526282 0.048526282 + 608 -2.9871562 0.048526282 -0.31654203 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.316542027652718 +run 1 pre no post no +Step emin elast PotEng + 608 -2.9871562 -0.31654203 -0.31654203 + 609 -2.9871562 -0.31654203 -0.29255107 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 609 -2.9871562 -0.31654203 -0.29255107 + 610 -2.9871562 -0.31654203 -0.28707834 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 610 -2.9871562 -0.31654203 -0.28707834 + 611 -2.9871562 -0.31654203 -0.16009743 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 611 -2.9871562 -0.31654203 -0.16009743 + 612 -2.9871562 -0.31654203 -0.32015399 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.320153988261906 +run 1 pre no post no +Step emin elast PotEng + 612 -2.9871562 -0.32015399 -0.32015399 + 613 -2.9871562 -0.32015399 -0.24172957 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 613 -2.9871562 -0.32015399 -0.24172957 + 614 -2.9871562 -0.32015399 -0.29893638 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 614 -2.9871562 -0.32015399 -0.29893638 + 615 -2.9871562 -0.32015399 -0.30915961 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 615 -2.9871562 -0.32015399 -0.30915961 + 616 -2.9871562 -0.32015399 -0.31682559 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 616 -2.9871562 -0.32015399 -0.31682559 + 617 -2.9871562 -0.32015399 -0.26985917 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 617 -2.9871562 -0.32015399 -0.26985917 + 618 -2.9871562 -0.32015399 -0.30509815 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 618 -2.9871562 -0.32015399 -0.30509815 + 619 -2.9871562 -0.32015399 -0.29230638 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 619 -2.9871562 -0.32015399 -0.29230638 + 620 -2.9871562 -0.32015399 -0.30650489 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 620 -2.9871562 -0.32015399 -0.30650489 + 621 -2.9871562 -0.32015399 -0.27759938 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 621 -2.9871562 -0.32015399 -0.27759938 + 622 -2.9871562 -0.32015399 0.041688376 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 622 -2.9871562 -0.32015399 0.041688376 + 623 -2.9871562 -0.32015399 -0.32452854 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.324528538455914 +run 1 pre no post no +Step emin elast PotEng + 623 -2.9871562 -0.32452854 -0.32452854 + 624 -2.9871562 -0.32452854 -0.33586316 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.335863162274943 +run 1 pre no post no +Step emin elast PotEng + 624 -2.9871562 -0.33586316 -0.33586316 + 625 -2.9871562 -0.33586316 -0.34047761 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.340477614251395 +run 1 pre no post no +Step emin elast PotEng + 625 -2.9871562 -0.34047761 -0.34047761 + 626 -2.9871562 -0.34047761 -0.34777023 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.347770230415983 +run 1 pre no post no +Step emin elast PotEng + 626 -2.9871562 -0.34777023 -0.34777023 + 627 -2.9871562 -0.34777023 -0.3078665 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 627 -2.9871562 -0.34777023 -0.3078665 + 628 -2.9871562 -0.34777023 -0.3255132 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 628 -2.9871562 -0.34777023 -0.3255132 + 629 -2.9871562 -0.34777023 -0.36270701 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.362707011328923 +run 1 pre no post no +Step emin elast PotEng + 629 -2.9871562 -0.36270701 -0.36270701 + 630 -2.9871562 -0.36270701 -0.30697428 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 630 -2.9871562 -0.36270701 -0.30697428 + 631 -2.9871562 -0.36270701 -0.35941259 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 631 -2.9871562 -0.36270701 -0.35941259 + 632 -2.9871562 -0.36270701 -0.34161127 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 632 -2.9871562 -0.36270701 -0.34161127 + 633 -2.9871562 -0.36270701 -0.42272426 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.422724264204413 +run 1 pre no post no +Step emin elast PotEng + 633 -2.9871562 -0.42272426 -0.42272426 + 634 -2.9871562 -0.42272426 -0.39141487 +Loop time of 9.799e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 634 -2.9871562 -0.42272426 -0.39141487 + 635 -2.9871562 -0.42272426 -0.43241824 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.432418238439362 +run 1 pre no post no +Step emin elast PotEng + 635 -2.9871562 -0.43241824 -0.43241824 + 636 -2.9871562 -0.43241824 0.083422827 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 636 -2.9871562 -0.43241824 0.083422827 + 637 -2.9871562 -0.43241824 -0.43252691 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.432526908965916 +run 1 pre no post no +Step emin elast PotEng + 637 -2.9871562 -0.43252691 -0.43252691 + 638 -2.9871562 -0.43252691 -0.38367637 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 638 -2.9871562 -0.43252691 -0.38367637 + 639 -2.9871562 -0.43252691 -0.41531459 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 639 -2.9871562 -0.43252691 -0.41531459 + 640 -2.9871562 -0.43252691 -0.44251923 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.442519227592348 +run 1 pre no post no +Step emin elast PotEng + 640 -2.9871562 -0.44251923 -0.44251923 + 641 -2.9871562 -0.44251923 -0.41045555 +Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 641 -2.9871562 -0.44251923 -0.41045555 + 642 -2.9871562 -0.44251923 -0.35746874 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 642 -2.9871562 -0.44251923 -0.35746874 + 643 -2.9871562 -0.44251923 -0.38670865 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 643 -2.9871562 -0.44251923 -0.38670865 + 644 -2.9871562 -0.44251923 -0.4341366 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 644 -2.9871562 -0.44251923 -0.4341366 + 645 -2.9871562 -0.44251923 -0.43696926 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 645 -2.9871562 -0.44251923 -0.43696926 + 646 -2.9871562 -0.44251923 -0.35694963 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 646 -2.9871562 -0.44251923 -0.35694963 + 647 -2.9871562 -0.44251923 -0.55496642 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.554966415695675 +run 1 pre no post no +Step emin elast PotEng + 647 -2.9871562 -0.55496642 -0.55496642 + 648 -2.9871562 -0.55496642 -0.56392451 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.563924513085021 +run 1 pre no post no +Step emin elast PotEng + 648 -2.9871562 -0.56392451 -0.56392451 + 649 -2.9871562 -0.56392451 -0.6253744 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.625374403156455 +run 1 pre no post no +Step emin elast PotEng + 649 -2.9871562 -0.6253744 -0.6253744 + 650 -2.9871562 -0.6253744 -0.61616032 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 650 -2.9871562 -0.6253744 -0.61616032 + 651 -2.9871562 -0.6253744 -0.61763035 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 651 -2.9871562 -0.6253744 -0.61763035 + 652 -2.9871562 -0.6253744 -0.61879708 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 652 -2.9871562 -0.6253744 -0.61879708 + 653 -2.9871562 -0.6253744 -0.56062041 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 653 -2.9871562 -0.6253744 -0.56062041 + 654 -2.9871562 -0.6253744 -0.62125035 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 654 -2.9871562 -0.6253744 -0.62125035 + 655 -2.9871562 -0.6253744 -0.60367348 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 655 -2.9871562 -0.6253744 -0.60367348 + 656 -2.9871562 -0.6253744 -0.62408022 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 656 -2.9871562 -0.6253744 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3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 681 -2.9871562 -0.69365552 -0.52422406 + 682 -2.9871562 -0.69365552 -0.69331269 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.693312690097748 +run 1 pre no post no +Step emin elast PotEng + 682 -2.9871562 -0.69331269 -0.69331269 + 683 -2.9871562 -0.69331269 -0.67400175 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 683 -2.9871562 -0.69331269 -0.67400175 + 684 -2.9871562 -0.69331269 -0.42741695 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 684 -2.9871562 -0.69331269 -0.42741695 + 685 -2.9871562 -0.69331269 -0.53681986 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 685 -2.9871562 -0.69331269 -0.53681986 + 686 -2.9871562 -0.69331269 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-0.7038038 -0.66120341 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 691 -2.9871562 -0.7038038 -0.66120341 + 692 -2.9871562 -0.7038038 -0.67125875 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 692 -2.9871562 -0.7038038 -0.67125875 + 693 -2.9871562 -0.7038038 -0.69632249 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 693 -2.9871562 -0.7038038 -0.69632249 + 694 -2.9871562 -0.7038038 -0.60672224 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 694 -2.9871562 -0.7038038 -0.60672224 + 695 -2.9871562 -0.7038038 -0.61709497 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 695 -2.9871562 -0.7038038 -0.61709497 + 696 -2.9871562 -0.7038038 -0.67866521 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 696 -2.9871562 -0.7038038 -0.67866521 + 697 -2.9871562 -0.7038038 -0.73688578 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.736885781665755 +run 1 pre no post no +Step emin elast PotEng + 697 -2.9871562 -0.73688578 -0.73688578 + 698 -2.9871562 -0.73688578 -0.74528612 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.745286118473708 +run 1 pre no post no +Step emin elast PotEng + 698 -2.9871562 -0.74528612 -0.74528612 + 699 -2.9871562 -0.74528612 -0.68257905 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 699 -2.9871562 -0.74528612 -0.68257905 + 700 -2.9871562 -0.74528612 -0.74739063 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 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3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 705 -2.9871562 -0.74949274 -0.7345188 + 706 -2.9871562 -0.74949274 -0.74953726 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.749537257968896 +run 1 pre no post no +Step emin elast PotEng + 706 -2.9871562 -0.74953726 -0.74953726 + 707 -2.9871562 -0.74953726 -0.72606257 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 707 -2.9871562 -0.74953726 -0.72606257 + 708 -2.9871562 -0.74953726 -0.77553525 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.775535247121637 +run 1 pre no post no +Step emin elast PotEng + 708 -2.9871562 -0.77553525 -0.77553525 + 709 -2.9871562 -0.77553525 -0.8603784 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal 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+ 714 -2.9871562 -0.87979981 -0.92371615 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.923716149863296 +run 1 pre no post no +Step emin elast PotEng + 714 -2.9871562 -0.92371615 -0.92371615 + 715 -2.9871562 -0.92371615 -0.89922586 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 715 -2.9871562 -0.92371615 -0.89922586 + 716 -2.9871562 -0.92371615 -0.91029363 +Loop time of 0.000125885 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 716 -2.9871562 -0.92371615 -0.91029363 + 717 -2.9871562 -0.92371615 -0.91287647 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 717 -2.9871562 -0.92371615 -0.91287647 + 718 -2.9871562 -0.92371615 -0.9006015 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 718 -2.9871562 -0.92371615 -0.9006015 + 719 -2.9871562 -0.92371615 -0.90800571 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 719 -2.9871562 -0.92371615 -0.90800571 + 720 -2.9871562 -0.92371615 -0.8056964 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 720 -2.9871562 -0.92371615 -0.8056964 + 721 -2.9871562 -0.92371615 -0.90712958 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 721 -2.9871562 -0.92371615 -0.90712958 + 722 -2.9871562 -0.92371615 -0.88931216 +Loop time of 9.70364e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 722 -2.9871562 -0.92371615 -0.88931216 + 723 -2.9871562 -0.92371615 -0.86957386 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 723 -2.9871562 -0.92371615 -0.86957386 + 724 -2.9871562 -0.92371615 -0.74438097 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 724 -2.9871562 -0.92371615 -0.74438097 + 725 -2.9871562 -0.92371615 -0.86860412 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 725 -2.9871562 -0.92371615 -0.86860412 + 726 -2.9871562 -0.92371615 -0.8994179 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 726 -2.9871562 -0.92371615 -0.8994179 + 727 -2.9871562 -0.92371615 -0.93811037 +Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.938110366666919 +run 1 pre no post no +Step emin elast PotEng + 727 -2.9871562 -0.93811037 -0.93811037 + 728 -2.9871562 -0.93811037 -0.94565637 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -0.945656369446711 +run 1 pre no 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-2.9871562 -1.1257191 -1.0953631 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 789 -2.9871562 -1.1257191 -1.0953631 + 790 -2.9871562 -1.1257191 -1.0876376 +Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 790 -2.9871562 -1.1257191 -1.0876376 + 791 -2.9871562 -1.1257191 -1.116487 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 791 -2.9871562 -1.1257191 -1.116487 + 792 -2.9871562 -1.1257191 -1.1245603 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 792 -2.9871562 -1.1257191 -1.1245603 + 793 -2.9871562 -1.1257191 -1.119904 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 793 -2.9871562 -1.1257191 -1.119904 + 794 -2.9871562 -1.1257191 -1.1267314 +Loop time of 3.60012e-05 on 1 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3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.16310248422247 +run 1 pre no post no +Step emin elast PotEng + 804 -2.9871562 -1.1631025 -1.1631025 + 805 -2.9871562 -1.1631025 -1.1371119 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 805 -2.9871562 -1.1631025 -1.1371119 + 806 -2.9871562 -1.1631025 -1.1645641 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.16456409881495 +run 1 pre no post no +Step emin elast PotEng + 806 -2.9871562 -1.1645641 -1.1645641 + 807 -2.9871562 -1.1645641 -1.1447447 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 807 -2.9871562 -1.1645641 -1.1447447 + 808 -2.9871562 -1.1645641 -1.0739664 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 808 -2.9871562 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time of 8.08239e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 853 -2.9871562 -1.3091656 -1.3030329 + 854 -2.9871562 -1.3091656 -1.2998519 +Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 854 -2.9871562 -1.3091656 -1.2998519 + 855 -2.9871562 -1.3091656 -1.2953856 +Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 855 -2.9871562 -1.3091656 -1.2953856 + 856 -2.9871562 -1.3091656 -1.3116741 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.31167412917964 +run 1 pre no post no +Step emin elast PotEng + 856 -2.9871562 -1.3116741 -1.3116741 + 857 -2.9871562 -1.3116741 -1.2854701 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 857 -2.9871562 -1.3116741 -1.2854701 + 858 -2.9871562 -1.3116741 -1.314665 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post no +Step emin elast PotEng + 973 -2.9871562 -1.5687649 -1.4878464 + 974 -2.9871562 -1.5687649 -1.5387661 +Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 974 -2.9871562 -1.5687649 -1.5387661 + 975 -2.9871562 -1.5687649 -1.5374607 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 975 -2.9871562 -1.5687649 -1.5374607 + 976 -2.9871562 -1.5687649 -1.5610358 +Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 976 -2.9871562 -1.5687649 -1.5610358 + 977 -2.9871562 -1.5687649 -1.531538 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 977 -2.9871562 -1.5687649 -1.531538 + 978 -2.9871562 -1.5687649 -1.569974 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.56997403231769 +run 1 pre no post no +Step emin elast PotEng + 978 -2.9871562 -1.569974 -1.569974 + 979 -2.9871562 -1.569974 -1.4956939 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 979 -2.9871562 -1.569974 -1.4956939 + 980 -2.9871562 -1.569974 -1.5490568 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 980 -2.9871562 -1.569974 -1.5490568 + 981 -2.9871562 -1.569974 -1.4116747 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 981 -2.9871562 -1.569974 -1.4116747 + 982 -2.9871562 -1.569974 -1.565936 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 982 -2.9871562 -1.569974 -1.565936 + 983 -2.9871562 -1.569974 -1.5321319 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 983 -2.9871562 -1.569974 -1.5321319 + 984 -2.9871562 -1.569974 -1.4980961 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 984 -2.9871562 -1.569974 -1.4980961 + 985 -2.9871562 -1.569974 -1.569863 +Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.56986297782347 +run 1 pre no post no +Step emin elast PotEng + 985 -2.9871562 -1.569863 -1.569863 + 986 -2.9871562 -1.569863 -1.6099691 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.60996907190349 +run 1 pre no post no +Step emin elast PotEng + 986 -2.9871562 -1.6099691 -1.6099691 + 987 -2.9871562 -1.6099691 -1.5338343 +Loop time of 9.58443e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 987 -2.9871562 -1.6099691 -1.5338343 + 988 -2.9871562 -1.6099691 -1.5645778 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 988 -2.9871562 -1.6099691 -1.5645778 + 989 -2.9871562 -1.6099691 -1.6111527 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.61115265752644 +run 1 pre no post no +Step emin elast PotEng + 989 -2.9871562 -1.6111527 -1.6111527 + 990 -2.9871562 -1.6111527 -1.6291621 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.62916211961594 +run 1 pre no post no +Step emin elast PotEng + 990 -2.9871562 -1.6291621 -1.6291621 + 991 -2.9871562 -1.6291621 -1.6245807 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 991 -2.9871562 -1.6291621 -1.6245807 + 992 -2.9871562 -1.6291621 -1.5734582 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 992 -2.9871562 -1.6291621 -1.5734582 + 993 -2.9871562 -1.6291621 -1.59584 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 993 -2.9871562 -1.6291621 -1.59584 + 994 -2.9871562 -1.6291621 -1.5832703 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 994 -2.9871562 -1.6291621 -1.5832703 + 995 -2.9871562 -1.6291621 -1.6199384 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 995 -2.9871562 -1.6291621 -1.6199384 + 996 -2.9871562 -1.6291621 -1.6219569 +Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 996 -2.9871562 -1.6291621 -1.6219569 + 997 -2.9871562 -1.6291621 -1.5675185 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 997 -2.9871562 -1.6291621 -1.5675185 + 998 -2.9871562 -1.6291621 -1.6280463 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable 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-2.9871562 -1.7558811 -1.7035197 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1057 -2.9871562 -1.7558811 -1.7035197 + 1058 -2.9871562 -1.7558811 -1.7250725 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1058 -2.9871562 -1.7558811 -1.7250725 + 1059 -2.9871562 -1.7558811 -1.7427547 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1059 -2.9871562 -1.7558811 -1.7427547 + 1060 -2.9871562 -1.7558811 -1.7268901 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1060 -2.9871562 -1.7558811 -1.7268901 + 1061 -2.9871562 -1.7558811 -1.7229842 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1061 -2.9871562 -1.7558811 -1.7229842 + 1062 -2.9871562 -1.7558811 -1.715896 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1062 -2.9871562 -1.7558811 -1.715896 + 1063 -2.9871562 -1.7558811 -1.7449823 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1063 -2.9871562 -1.7558811 -1.7449823 + 1064 -2.9871562 -1.7558811 -1.7549541 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1064 -2.9871562 -1.7558811 -1.7549541 + 1065 -2.9871562 -1.7558811 -1.6816618 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1065 -2.9871562 -1.7558811 -1.6816618 + 1066 -2.9871562 -1.7558811 -1.7424774 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1066 -2.9871562 -1.7558811 -1.7424774 + 1067 -2.9871562 -1.7558811 -1.6085588 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1067 -2.9871562 -1.7558811 -1.6085588 + 1068 -2.9871562 -1.7558811 -1.7063757 +Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1068 -2.9871562 -1.7558811 -1.7063757 + 1069 -2.9871562 -1.7558811 -1.6975332 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1069 -2.9871562 -1.7558811 -1.6975332 + 1070 -2.9871562 -1.7558811 -1.7491422 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1070 -2.9871562 -1.7558811 -1.7491422 + 1071 -2.9871562 -1.7558811 -1.730662 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1071 -2.9871562 -1.7558811 -1.730662 + 1072 -2.9871562 -1.7558811 -1.7545667 +Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1072 -2.9871562 -1.7558811 -1.7545667 + 1073 -2.9871562 -1.7558811 -1.7342696 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1073 -2.9871562 -1.7558811 -1.7342696 + 1074 -2.9871562 -1.7558811 -1.7050395 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1074 -2.9871562 -1.7558811 -1.7050395 + 1075 -2.9871562 -1.7558811 -1.7994654 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.7994654324027 +run 1 pre no post no +Step emin elast PotEng + 1075 -2.9871562 -1.7994654 -1.7994654 + 1076 -2.9871562 -1.7994654 -1.7981253 +Loop time of 8.89301e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1076 -2.9871562 -1.7994654 -1.7981253 + 1077 -2.9871562 -1.7994654 -1.794609 +Loop time of 4.88758e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1077 -2.9871562 -1.7994654 -1.794609 + 1078 -2.9871562 -1.7994654 -1.7907138 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1078 -2.9871562 -1.7994654 -1.7907138 + 1079 -2.9871562 -1.7994654 -1.7901406 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1079 -2.9871562 -1.7994654 -1.7901406 + 1080 -2.9871562 -1.7994654 -1.77805 +Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1080 -2.9871562 -1.7994654 -1.77805 + 1081 -2.9871562 -1.7994654 -1.7328905 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1081 -2.9871562 -1.7994654 -1.7328905 + 1082 -2.9871562 -1.7994654 -1.7726232 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1082 -2.9871562 -1.7994654 -1.7726232 + 1083 -2.9871562 -1.7994654 -1.7952569 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1083 -2.9871562 -1.7994654 -1.7952569 + 1084 -2.9871562 -1.7994654 -1.7299987 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1084 -2.9871562 -1.7994654 -1.7299987 + 1085 -2.9871562 -1.7994654 -1.8031687 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -1.80316874696465 +run 1 pre no post no +Step emin elast PotEng + 1085 -2.9871562 -1.8031687 -1.8031687 + 1086 -2.9871562 -1.8031687 -1.7823823 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1086 -2.9871562 -1.8031687 -1.7823823 + 1087 -2.9871562 -1.8031687 -1.7993752 +Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 1087 -2.9871562 -1.8031687 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+Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2926 -2.9871562 -2.7220982 -2.7035372 + 2927 -2.9871562 -2.7220982 -2.6768595 +Loop time of 8.2016e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2927 -2.9871562 -2.7220982 -2.6768595 + 2928 -2.9871562 -2.7220982 -2.7033033 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2928 -2.9871562 -2.7220982 -2.7033033 + 2929 -2.9871562 -2.7220982 -2.7071954 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2929 -2.9871562 -2.7220982 -2.7071954 + 2930 -2.9871562 -2.7220982 -2.6956425 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2930 -2.9871562 -2.7220982 -2.6956425 + 2931 -2.9871562 -2.7220982 -2.7007158 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2931 -2.9871562 -2.7220982 -2.7007158 + 2932 -2.9871562 -2.7220982 -2.6918091 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2932 -2.9871562 -2.7220982 -2.6918091 + 2933 -2.9871562 -2.7220982 -2.7093174 +Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2933 -2.9871562 -2.7220982 -2.7093174 + 2934 -2.9871562 -2.7220982 -2.7069946 +Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2934 -2.9871562 -2.7220982 -2.7069946 + 2935 -2.9871562 -2.7220982 -2.7214406 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.7214406128672 +run 1 pre no post no +Step emin elast PotEng + 2935 -2.9871562 -2.7214406 -2.7214406 + 2936 -2.9871562 -2.7214406 -2.6408922 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2936 -2.9871562 -2.7214406 -2.6408922 + 2937 -2.9871562 -2.7214406 -2.7063003 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2937 -2.9871562 -2.7214406 -2.7063003 + 2938 -2.9871562 -2.7214406 -2.7064794 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2938 -2.9871562 -2.7214406 -2.7064794 + 2939 -2.9871562 -2.7214406 -2.7127907 +Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2939 -2.9871562 -2.7214406 -2.7127907 + 2940 -2.9871562 -2.7214406 -2.7233034 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.72330336844771 +run 1 pre no post no +Step emin elast PotEng + 2940 -2.9871562 -2.7233034 -2.7233034 + 2941 -2.9871562 -2.7233034 -2.7096076 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2941 -2.9871562 -2.7233034 -2.7096076 + 2942 -2.9871562 -2.7233034 -2.7309369 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.73093686824124 +run 1 pre no post no +Step emin elast PotEng + 2942 -2.9871562 -2.7309369 -2.7309369 + 2943 -2.9871562 -2.7309369 -2.7094326 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2943 -2.9871562 -2.7309369 -2.7094326 + 2944 -2.9871562 -2.7309369 -2.7274371 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2944 -2.9871562 -2.7309369 -2.7274371 + 2945 -2.9871562 -2.7309369 -2.721878 +Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2945 -2.9871562 -2.7309369 -2.721878 + 2946 -2.9871562 -2.7309369 -2.7119534 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2946 -2.9871562 -2.7309369 -2.7119534 + 2947 -2.9871562 -2.7309369 -2.7294806 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.72948059562197 +run 1 pre no post no +Step emin elast PotEng + 2947 -2.9871562 -2.7294806 -2.7294806 + 2948 -2.9871562 -2.7294806 -2.6942317 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2948 -2.9871562 -2.7294806 -2.6942317 + 2949 -2.9871562 -2.7294806 -2.7314917 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.73149168308741 +run 1 pre no post no +Step emin elast PotEng + 2949 -2.9871562 -2.7314917 -2.7314917 + 2950 -2.9871562 -2.7314917 -2.7185607 +Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2950 -2.9871562 -2.7314917 -2.7185607 + 2951 -2.9871562 -2.7314917 -2.7150198 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2951 -2.9871562 -2.7314917 -2.7150198 + 2952 -2.9871562 -2.7314917 -2.6967941 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2952 -2.9871562 -2.7314917 -2.6967941 + 2953 -2.9871562 -2.7314917 -2.7257724 +Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2953 -2.9871562 -2.7314917 -2.7257724 + 2954 -2.9871562 -2.7314917 -2.7249252 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2954 -2.9871562 -2.7314917 -2.7249252 + 2955 -2.9871562 -2.7314917 -2.7043442 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2955 -2.9871562 -2.7314917 -2.7043442 + 2956 -2.9871562 -2.7314917 -2.7103953 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2956 -2.9871562 -2.7314917 -2.7103953 + 2957 -2.9871562 -2.7314917 -2.7187171 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2957 -2.9871562 -2.7314917 -2.7187171 + 2958 -2.9871562 -2.7314917 -2.724445 +Loop time of 0.0225611 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2958 -2.9871562 -2.7314917 -2.724445 + 2959 -2.9871562 -2.7314917 -2.7058065 +Loop time of 4.72069e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2959 -2.9871562 -2.7314917 -2.7058065 + 2960 -2.9871562 -2.7314917 -2.7128876 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2960 -2.9871562 -2.7314917 -2.7128876 + 2961 -2.9871562 -2.7314917 -2.7309838 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.73098376070132 +run 1 pre no post no +Step emin elast PotEng + 2961 -2.9871562 -2.7309838 -2.7309838 + 2962 -2.9871562 -2.7309838 -2.691913 +Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2962 -2.9871562 -2.7309838 -2.691913 + 2963 -2.9871562 -2.7309838 -2.6946384 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2963 -2.9871562 -2.7309838 -2.6946384 + 2964 -2.9871562 -2.7309838 -2.7258389 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2964 -2.9871562 -2.7309838 -2.7258389 + 2965 -2.9871562 -2.7309838 -2.7291108 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2965 -2.9871562 -2.7309838 -2.7291108 + 2966 -2.9871562 -2.7309838 -2.7152084 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2966 -2.9871562 -2.7309838 -2.7152084 + 2967 -2.9871562 -2.7309838 -2.7228882 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2967 -2.9871562 -2.7309838 -2.7228882 + 2968 -2.9871562 -2.7309838 -2.7252658 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2968 -2.9871562 -2.7309838 -2.7252658 + 2969 -2.9871562 -2.7309838 -2.7138808 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2969 -2.9871562 -2.7309838 -2.7138808 + 2970 -2.9871562 -2.7309838 -2.7108255 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2970 -2.9871562 -2.7309838 -2.7108255 + 2971 -2.9871562 -2.7309838 -2.7152745 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2971 -2.9871562 -2.7309838 -2.7152745 + 2972 -2.9871562 -2.7309838 -2.722475 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2972 -2.9871562 -2.7309838 -2.722475 + 2973 -2.9871562 -2.7309838 -2.7175435 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2973 -2.9871562 -2.7309838 -2.7175435 + 2974 -2.9871562 -2.7309838 -2.7316382 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.73163823760581 +run 1 pre no post no +Step emin elast PotEng + 2974 -2.9871562 -2.7316382 -2.7316382 + 2975 -2.9871562 -2.7316382 -2.7042328 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2975 -2.9871562 -2.7316382 -2.7042328 + 2976 -2.9871562 -2.7316382 -2.7186023 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2976 -2.9871562 -2.7316382 -2.7186023 + 2977 -2.9871562 -2.7316382 -2.6828842 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2977 -2.9871562 -2.7316382 -2.6828842 + 2978 -2.9871562 -2.7316382 -2.7375584 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.73755836809111 +run 1 pre no post no +Step emin elast PotEng + 2978 -2.9871562 -2.7375584 -2.7375584 + 2979 -2.9871562 -2.7375584 -2.6885032 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2979 -2.9871562 -2.7375584 -2.6885032 + 2980 -2.9871562 -2.7375584 -2.698477 +Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2980 -2.9871562 -2.7375584 -2.698477 + 2981 -2.9871562 -2.7375584 -2.7194821 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2981 -2.9871562 -2.7375584 -2.7194821 + 2982 -2.9871562 -2.7375584 -2.7225137 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2982 -2.9871562 -2.7375584 -2.7225137 + 2983 -2.9871562 -2.7375584 -2.7247644 +Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2983 -2.9871562 -2.7375584 -2.7247644 + 2984 -2.9871562 -2.7375584 -2.7264793 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2984 -2.9871562 -2.7375584 -2.7264793 + 2985 -2.9871562 -2.7375584 -2.7045307 +Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2985 -2.9871562 -2.7375584 -2.7045307 + 2986 -2.9871562 -2.7375584 -2.7337196 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2986 -2.9871562 -2.7375584 -2.7337196 + 2987 -2.9871562 -2.7375584 -2.7404694 +Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.74046936071748 +run 1 pre no post no +Step emin elast PotEng + 2987 -2.9871562 -2.7404694 -2.7404694 + 2988 -2.9871562 -2.7404694 -2.7296953 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2988 -2.9871562 -2.7404694 -2.7296953 + 2989 -2.9871562 -2.7404694 -2.7242893 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2989 -2.9871562 -2.7404694 -2.7242893 + 2990 -2.9871562 -2.7404694 -2.7310899 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2990 -2.9871562 -2.7404694 -2.7310899 + 2991 -2.9871562 -2.7404694 -2.6896681 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2991 -2.9871562 -2.7404694 -2.6896681 + 2992 -2.9871562 -2.7404694 -2.7164204 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2992 -2.9871562 -2.7404694 -2.7164204 + 2993 -2.9871562 -2.7404694 -2.7362149 +Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2993 -2.9871562 -2.7404694 -2.7362149 + 2994 -2.9871562 -2.7404694 -2.734481 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2994 -2.9871562 -2.7404694 -2.734481 + 2995 -2.9871562 -2.7404694 -2.737246 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2995 -2.9871562 -2.7404694 -2.737246 + 2996 -2.9871562 -2.7404694 -2.7201771 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2996 -2.9871562 -2.7404694 -2.7201771 + 2997 -2.9871562 -2.7404694 -2.7384292 +Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2997 -2.9871562 -2.7404694 -2.7384292 + 2998 -2.9871562 -2.7404694 -2.7325264 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2998 -2.9871562 -2.7404694 -2.7325264 + 2999 -2.9871562 -2.7404694 -2.7381282 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +run 1 pre no post no +Step emin elast PotEng + 2999 -2.9871562 -2.7404694 -2.7381282 + 3000 -2.9871562 -2.7404694 -2.7413423 +Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms +variable elast equal $e +variable elast equal -2.7413422908222 +variable nbuild equal nbuild +run 0 +WARNING: No fixes defined, atoms won't move (verlet.cpp:55) +Memory usage per processor = 2.35582 Mbytes +Step emin elast PotEng + 3000 -2.9871562 -2.7413423 -2.7413423 +Loop time of 0 on 1 procs for 0 steps with 100 atoms + +Pair time (%) = 0 (0) +Neigh time (%) = 0 (0) +Comm time (%) = 0 (0) +Outpt time (%) = 0 (0) +Other time (%) = 0 (0) + +Nlocal: 100 ave 100 max 100 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 152 ave 152 max 152 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 1036 ave 1036 max 1036 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 1036 +Ave neighs/atom = 10.36 +Neighbor list builds = 0 +Dangerous builds = 0 diff --git a/python/examples/simple.py b/python/examples/simple.py index 168ec94aa9..1686a99bc9 100755 --- a/python/examples/simple.py +++ b/python/examples/simple.py @@ -2,9 +2,24 @@ # preceeding line should have path for Python on your machine # simple.py -# Purpose: mimic operation of couple/simple/simple.cpp via Python -# Syntax: simple.py in.lammps -# in.lammps = LAMMPS input script +# Purpose: mimic operation of examples/COUPLE/simple/simple.cpp via Python + +# Serial syntax: simple.py in.lammps +# in.lammps = LAMMPS input script + +# Parallel syntax: mpirun -np 4 simple.py in.lammps +# in.lammps = LAMMPS input script + +# if run in parallel with script as-is: +# will invoke P instances of a one-processor run +# both Python and LAMMPS will run on single processors +# each will read same input file, write to same log.lammps file (bad) + +# if run in parallel after uncommening either Pypar or mpi4py sections below: +# will invoke 1 instance of a P-processor run +# both Python and LAMMPS will run in parallel +# see the split.py example for how to use multiple procs +# to run multiple LAMMPS jobs, each on a subset of procs import sys @@ -19,11 +34,16 @@ infile = sys.argv[1] me = 0 -# uncomment if running in parallel via Pypar +# uncomment this if running in parallel via Pypar #import pypar #me = pypar.rank() #nprocs = pypar.size() +# uncomment this if running in parallel via mpi4py +#from mpi4py import MPI +#me = MPI.COMM_WORLD.Get_rank() +#nprocs = MPI.COMM_WORLD.Get_size() + from lammps import lammps lmp = lammps() @@ -54,3 +74,7 @@ print "Force on 1 atom via extract_variable:",fx[0] # uncomment if running in parallel via Pypar #print "Proc %d out of %d procs has" % (me,nprocs), lmp #pypar.finalize() + +# uncomment if running in parallel via mpi4py +#print "Proc %d out of %d procs has" % (me,nprocs), lmp +#MPI.Finalize() diff --git a/python/examples/split.py b/python/examples/split.py new file mode 100755 index 0000000000..65cf395581 --- /dev/null +++ b/python/examples/split.py @@ -0,0 +1,79 @@ +#!/usr/bin/env python -i +# preceeding line should have path for Python on your machine + +# split.py +# Purpose: similar to simple.py, but first the world communicator +# is split in two halves and LAMMPS is run only on one partition +# Syntax: split.py in.lammps +# in.lammps = LAMMPS input script + +import sys + +# parse command line + +argv = sys.argv +if len(argv) != 2: + print "Syntax: simple.py in.lammps" + sys.exit() + +infile = sys.argv[1] + +me = 0 + +# this example *only* works with mpi4py version 2.0.0 or later + +from mpi4py import MPI +comm = MPI.COMM_WORLD +me = comm.Get_rank() +nprocs = comm.Get_size() + +# create two subcommunicators + +if me < nprocs // 2: color = 0 +else: color = 1 + +split = comm.Split(color,key=0) + +if color == 0: + from lammps import lammps + lmp = lammps(comm=split) + + # run infile one line at a time + + lines = open(infile,'r').readlines() + for line in lines: lmp.command(line) + + # run 10 more steps + # get coords from LAMMPS + # change coords of 1st atom + # put coords back into LAMMPS + # run a single step with changed coords + + lmp.command("run 10") + x = lmp.gather_atoms("x",1,3) + epsilon = 0.1 + x[0] += epsilon + lmp.scatter_atoms("x",1,3,x) + lmp.command("run 1"); + + f = lmp.extract_atom("f",3) + print "Force on 1 atom via extract_atom: ",f[0][0] + + fx = lmp.extract_variable("fx","all",1) + print "Force on 1 atom via extract_variable:",fx[0] + print "Proc %d out of %d procs has" % (me,nprocs), lmp + print "Calculation on partition 0 complete" + +else: + # could run a 2nd calculation on second partition + # with different LAMMPS instance or another code + # in this case, just sleep on second partition + + import time + time.sleep(2) + print "Calculation on partition 1 complete" + +# shutdown mpi4py + +comm.Barrier() +MPI.Finalize() diff --git a/python/examples/trivial.py b/python/examples/trivial.py index a9b24d4e67..7e61b97cb3 100755 --- a/python/examples/trivial.py +++ b/python/examples/trivial.py @@ -17,12 +17,6 @@ if len(argv) != 2: infile = sys.argv[1] -me = 0 -# uncomment if running in parallel via Pypar -#import pypar -#me = pypar.rank() -#nprocs = pypar.size() - from lammps import lammps lmp = lammps() @@ -30,11 +24,7 @@ lmp = lammps() lmp.file(infile) -# run infile one line at a time +# or run infile one line at a time #lines = open(infile,'r').readlines() #for line in lines: lmp.command(line) - -# uncomment if running in parallel via Pypar -#print "Proc %d out of %d procs has" % (me,nprocs), lmp -#pypar.finalize()