diff --git a/examples/hyper/adatoms.list.37K b/examples/hyper/adatoms.list.37K deleted file mode 100644 index 520570186c..0000000000 --- a/examples/hyper/adatoms.list.37K +++ /dev/null @@ -1,184 +0,0 @@ -create_atoms 1 single 27.5 9.5 4 -create_atoms 1 single 16 9 4 -create_atoms 1 single 10 12 4 -create_atoms 1 single 31 44 4 -create_atoms 1 single 13 17 4 -create_atoms 1 single 8.5 28.5 4 -create_atoms 1 single 23 26 4 -create_atoms 1 single 38 27 4 -create_atoms 1 single 37.5 4.5 4 -create_atoms 1 single 41.5 47.5 4 -create_atoms 1 single 20.5 37.5 4 -create_atoms 1 single 5 8 4 -create_atoms 1 single 2.5 16.5 4 -create_atoms 1 single 38.5 45.5 4 -create_atoms 1 single 9 0 4 -create_atoms 1 single 39 32 4 -create_atoms 1 single 45.5 11.5 4 -create_atoms 1 single 40 0 4 -create_atoms 1 single 44.5 2.5 4 -create_atoms 1 single 4.5 44.5 4 -create_atoms 1 single 24.5 13.5 4 -create_atoms 1 single 47.5 23.5 4 -create_atoms 1 single 1 20 4 -create_atoms 1 single 38.5 31.5 4 -create_atoms 1 single 12.5 12.5 4 -create_atoms 1 single 2 27 4 -create_atoms 1 single 21 5 4 -create_atoms 1 single 47 12 4 -create_atoms 1 single 32.5 46.5 4 -create_atoms 1 single 9.5 40.5 4 -create_atoms 1 single 8.5 2.5 4 -create_atoms 1 single 41.5 22.5 4 -create_atoms 1 single 29 11 4 -create_atoms 1 single 3.5 3.5 4 -create_atoms 1 single 5 21 4 -create_atoms 1 single 46.5 31.5 4 -create_atoms 1 single 35 46 4 -create_atoms 1 single 40.5 41.5 4 -create_atoms 1 single 10 22 4 -create_atoms 1 single 43.5 14.5 4 -create_atoms 1 single 42 42 4 -create_atoms 1 single 4 26 4 -create_atoms 1 single 19 34 4 -create_atoms 1 single 33 9 4 -create_atoms 1 single 0.5 45.5 4 -create_atoms 1 single 30.5 32.5 4 -create_atoms 1 single 25.5 5.5 4 -create_atoms 1 single 47.5 39.5 4 -create_atoms 1 single 15 13 4 -create_atoms 1 single 21 21 4 -create_atoms 1 single 14 28 4 -create_atoms 1 single 9 34 4 -create_atoms 1 single 7 38 4 -create_atoms 1 single 11 35 4 -create_atoms 1 single 20.5 45.5 4 -create_atoms 1 single 30.5 31.5 4 -create_atoms 1 single 32.5 2.5 4 -create_atoms 1 single 21.5 3.5 4 -create_atoms 1 single 23 12 4 -create_atoms 1 single 4.5 33.5 4 -create_atoms 1 single 46 43 4 -create_atoms 1 single 42.5 45.5 4 -create_atoms 1 single 4.5 10.5 4 -create_atoms 1 single 33.5 15.5 4 -create_atoms 1 single 24 5 4 -create_atoms 1 single 13 16 4 -create_atoms 1 single 16.5 23.5 4 -create_atoms 1 single 45.5 28.5 4 -create_atoms 1 single 44.5 5.5 4 -create_atoms 1 single 27.5 46.5 4 -create_atoms 1 single 44.5 12.5 4 -create_atoms 1 single 12 41 4 -create_atoms 1 single 6 4 4 -create_atoms 1 single 31.5 10.5 4 -create_atoms 1 single 1 44 4 -create_atoms 1 single 31 4 4 -create_atoms 1 single 21 33 4 -create_atoms 1 single 3 33 4 -create_atoms 1 single 15 10 4 -create_atoms 1 single 28.5 22.5 4 -create_atoms 1 single 43 1 4 -create_atoms 1 single 3.5 0.5 4 -create_atoms 1 single 41 37 4 -create_atoms 1 single 18.5 43.5 4 -create_atoms 1 single 17 27 4 -create_atoms 1 single 3 5 4 -create_atoms 1 single 18.5 23.5 4 -create_atoms 1 single 31.5 14.5 4 -create_atoms 1 single 41 31 4 -create_atoms 1 single 22 3 4 -create_atoms 1 single 14.5 40.5 4 -create_atoms 1 single 9 38 4 -create_atoms 1 single 36 42 4 -create_atoms 1 single 33 22 4 -create_atoms 1 single 15.5 47.5 4 -create_atoms 1 single 3 0 4 -create_atoms 1 single 25.5 27.5 4 -create_atoms 1 single 2.5 28.5 4 -create_atoms 1 single 29.5 28.5 4 -create_atoms 1 single 44.5 18.5 4 -create_atoms 1 single 26 40 4 -create_atoms 1 single 41 27 4 -create_atoms 1 single 39.5 5.5 4 -create_atoms 1 single 3 38 4 -create_atoms 1 single 35 29 4 -create_atoms 1 single 11 19 4 -create_atoms 1 single 18 1 4 -create_atoms 1 single 39.5 40.5 4 -create_atoms 1 single 46 17 4 -create_atoms 1 single 1.5 23.5 4 -create_atoms 1 single 28.5 23.5 4 -create_atoms 1 single 10 28 4 -create_atoms 1 single 19 47 4 -create_atoms 1 single 10.5 16.5 4 -create_atoms 1 single 38 45 4 -create_atoms 1 single 42.5 41.5 4 -create_atoms 1 single 47.5 42.5 4 -create_atoms 1 single 38 7 4 -create_atoms 1 single 10 44 4 -create_atoms 1 single 29.5 27.5 4 -create_atoms 1 single 45 30 4 -create_atoms 1 single 3 9 4 -create_atoms 1 single 8.5 35.5 4 -create_atoms 1 single 24 44 4 -create_atoms 1 single 47 4 4 -create_atoms 1 single 7.5 8.5 4 -create_atoms 1 single 32.5 41.5 4 -create_atoms 1 single 0.5 34.5 4 -create_atoms 1 single 11 8 4 -create_atoms 1 single 2 40 4 -create_atoms 1 single 25 24 4 -create_atoms 1 single 47.5 6.5 4 -create_atoms 1 single 39.5 28.5 4 -create_atoms 1 single 17 21 4 -create_atoms 1 single 32 43 4 -create_atoms 1 single 16.5 29.5 4 -create_atoms 1 single 34 34 4 -create_atoms 1 single 11.5 3.5 4 -create_atoms 1 single 39 22 4 -create_atoms 1 single 24.5 36.5 4 -create_atoms 1 single 33 31 4 -create_atoms 1 single 35.5 35.5 4 -create_atoms 1 single 14.5 34.5 4 -create_atoms 1 single 34 28 4 -create_atoms 1 single 37 41 4 -create_atoms 1 single 33 46 4 -create_atoms 1 single 27.5 28.5 4 -create_atoms 1 single 40.5 22.5 4 -create_atoms 1 single 27.5 1.5 4 -create_atoms 1 single 12 2 4 -create_atoms 1 single 36 43 4 -create_atoms 1 single 28.5 9.5 4 -create_atoms 1 single 20.5 25.5 4 -create_atoms 1 single 3 3 4 -create_atoms 1 single 38 33 4 -create_atoms 1 single 3 20 4 -create_atoms 1 single 35 11 4 -create_atoms 1 single 5 25 4 -create_atoms 1 single 36.5 6.5 4 -create_atoms 1 single 19.5 24.5 4 -create_atoms 1 single 27 41 4 -create_atoms 1 single 39.5 11.5 4 -create_atoms 1 single 21.5 2.5 4 -create_atoms 1 single 46.5 15.5 4 -create_atoms 1 single 13 24 4 -create_atoms 1 single 11 37 4 -create_atoms 1 single 11.5 31.5 4 -create_atoms 1 single 47 0 4 -create_atoms 1 single 25.5 17.5 4 -create_atoms 1 single 32 11 4 -create_atoms 1 single 8 17 4 -create_atoms 1 single 27.5 12.5 4 -create_atoms 1 single 25 7 4 -create_atoms 1 single 25.5 37.5 4 -create_atoms 1 single 12 15 4 -create_atoms 1 single 1 7 4 -create_atoms 1 single 18.5 47.5 4 -create_atoms 1 single 5 38 4 -create_atoms 1 single 42 19 4 -create_atoms 1 single 30.5 7.5 4 -create_atoms 1 single 42.5 7.5 4 -create_atoms 1 single 26.5 18.5 4 -create_atoms 1 single 18.5 1.5 4 -create_atoms 1 single 41.5 10.5 4 diff --git a/examples/hyper/adatoms.list.50 b/examples/hyper/adatoms.list.50 new file mode 100644 index 0000000000..65719349e2 --- /dev/null +++ b/examples/hyper/adatoms.list.50 @@ -0,0 +1,50 @@ +create_atoms 1 single 5 9 4 +create_atoms 1 single 4.5 7.5 4 +create_atoms 1 single 6 6 4 +create_atoms 1 single 5 6 4 +create_atoms 1 single 4.5 1.5 4 +create_atoms 1 single 6.5 7.5 4 +create_atoms 1 single 10.5 5.5 4 +create_atoms 1 single 2.5 1.5 4 +create_atoms 1 single 3.5 4.5 4 +create_atoms 1 single 0 10 4 +create_atoms 1 single 11 10 4 +create_atoms 1 single 6.5 10.5 4 +create_atoms 1 single 3.5 5.5 4 +create_atoms 1 single 7.5 10.5 4 +create_atoms 1 single 1.5 1.5 4 +create_atoms 1 single 1.5 6.5 4 +create_atoms 1 single 7 2 4 +create_atoms 1 single 4 0 4 +create_atoms 1 single 9 0 4 +create_atoms 1 single 4 9 4 +create_atoms 1 single 10 7 4 +create_atoms 1 single 4 4 4 +create_atoms 1 single 9.5 2.5 4 +create_atoms 1 single 1 5 4 +create_atoms 1 single 7 10 4 +create_atoms 1 single 0 4 4 +create_atoms 1 single 1 10 4 +create_atoms 1 single 7.5 6.5 4 +create_atoms 1 single 4 10 4 +create_atoms 1 single 6.5 3.5 4 +create_atoms 1 single 3 6 4 +create_atoms 1 single 8.5 4.5 4 +create_atoms 1 single 6.5 0.5 4 +create_atoms 1 single 1 4 4 +create_atoms 1 single 8.5 11.5 4 +create_atoms 1 single 3 9 4 +create_atoms 1 single 2 3 4 +create_atoms 1 single 6.5 8.5 4 +create_atoms 1 single 1 0 4 +create_atoms 1 single 0.5 10.5 4 +create_atoms 1 single 4 11 4 +create_atoms 1 single 3 5 4 +create_atoms 1 single 0 1 4 +create_atoms 1 single 2 11 4 +create_atoms 1 single 2 0 4 +create_atoms 1 single 7.5 11.5 4 +create_atoms 1 single 1 7 4 +create_atoms 1 single 3.5 10.5 4 +create_atoms 1 single 0 2 4 +create_atoms 1 single 8 4 4 diff --git a/examples/hyper/global.000000.jpg b/examples/hyper/global.000000.jpg index 3064ece7f1..b63ced36b8 100644 Binary files a/examples/hyper/global.000000.jpg and b/examples/hyper/global.000000.jpg differ diff --git a/examples/hyper/global.041000.jpg b/examples/hyper/global.041000.jpg index 1f5253865e..417900beae 100644 Binary files a/examples/hyper/global.041000.jpg and b/examples/hyper/global.041000.jpg differ diff --git a/examples/hyper/global.045000.jpg b/examples/hyper/global.045000.jpg index fb545052cb..4d10ab1653 100644 Binary files a/examples/hyper/global.045000.jpg and b/examples/hyper/global.045000.jpg differ diff --git a/examples/hyper/global.048000.jpg b/examples/hyper/global.048000.jpg index 506ea4a4bb..c88968b470 100644 Binary files a/examples/hyper/global.048000.jpg and b/examples/hyper/global.048000.jpg differ diff --git a/examples/hyper/global.089000.jpg b/examples/hyper/global.089000.jpg index 094e8b5328..ba71b4a728 100644 Binary files a/examples/hyper/global.089000.jpg and b/examples/hyper/global.089000.jpg differ diff --git a/examples/hyper/in.hyper.local b/examples/hyper/in.hyper.local index cdf478ac38..612313a653 100644 --- a/examples/hyper/in.hyper.local +++ b/examples/hyper/in.hyper.local @@ -13,14 +13,14 @@ variable cutevent index 1.1 variable alpha index 200.0 variable boost index 4000.0 variable ghostcut index 12.0 -variable steps index 1500 +variable steps index 2000 variable nevent index 100 -variable nx index 8 -variable ny index 8 +variable nx index 2 +variable ny index 2 variable zoom index 1.8 -variable seed index 826626413 +variable seed index 3875984 variable tol index 1.0e-15 -variable add index 37K +variable add index 50 units metal atom_style atomic @@ -107,12 +107,6 @@ dump 1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 & zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01 dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green -# test of histogramming and dump output of bias coeffs - -#fix histo all ave/histo 10 100 1000 0.9 1.1 100 f_HL & -# mode vector kind local file tmp.histo -#dump 2 all local 1000 tmp.local f_HL - # run hyper ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1 diff --git a/examples/hyper/local.000000.jpg b/examples/hyper/local.000000.jpg index ef0ec0cd59..91a3b90abd 100644 Binary files a/examples/hyper/local.000000.jpg and b/examples/hyper/local.000000.jpg differ diff --git a/examples/hyper/local.000400.jpg b/examples/hyper/local.000400.jpg new file mode 100644 index 0000000000..165f9e6cbd Binary files /dev/null and b/examples/hyper/local.000400.jpg differ diff --git a/examples/hyper/local.001200.jpg b/examples/hyper/local.001200.jpg deleted file mode 100644 index 36bc9cd7bc..0000000000 Binary files a/examples/hyper/local.001200.jpg and /dev/null differ diff --git a/examples/hyper/local.001300.jpg b/examples/hyper/local.001300.jpg new file mode 100644 index 0000000000..2e0d1036d8 Binary files /dev/null and b/examples/hyper/local.001300.jpg differ diff --git a/examples/hyper/log.25Mar19.hyper.local.g++.16 b/examples/hyper/log.25Mar19.hyper.local.g++.16 deleted file mode 100644 index b56406f963..0000000000 --- a/examples/hyper/log.25Mar19.hyper.local.g++.16 +++ /dev/null @@ -1,1002 +0,0 @@ -LAMMPS (28 Feb 2019) -# 3d EAM surface for local HD - -# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92 -# hop event on (100) surface is same distance -# exchange event is 2 atoms moving same distance - -variable Tequil index 400.0 -variable Vmax index 0.4 -variable qfactor index 0.3 -variable cutbond index 3.2 -variable Dcut index 10.0 -variable cutevent index 1.1 -variable alpha index 200.0 -variable boost index 4000.0 -variable ghostcut index 12.0 -variable steps index 1500 -variable nevent index 100 -variable nx index 8 -variable ny index 8 -variable zoom index 1.8 -variable seed index 826626413 -variable tol index 1.0e-15 -variable add index 37K - -units metal -atom_style atomic -atom_modify map array -boundary p p p -comm_modify cutoff ${ghostcut} -comm_modify cutoff 12.0 - -lattice fcc 3.92 -Lattice spacing in x,y,z = 3.92 3.92 3.92 -region box block 0 6 0 6 0 4 -create_box 2 box -Created orthogonal box = (0 0 0) to (23.52 23.52 15.68) - 2 by 4 by 2 MPI processor grid -create_atoms 1 box -Created 576 atoms - Time spent = 0.00110102 secs - -mass * 1.0 - -change_box all z final -0.1 5.0 boundary p p f - orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6) - -# replicate in xy - -replicate ${nx} ${ny} 1 -replicate 8 ${ny} 1 -replicate 8 8 1 - orthogonal box = (0 0 -0.392) to (188.16 188.16 19.6) - 4 by 4 by 1 MPI processor grid - 36864 atoms - Time spent = 0.00289989 secs - -# add adatoms - -include adatoms.list.${add} -include adatoms.list.37K -create_atoms 1 single 27.5 9.5 4 -Created 1 atoms - Time spent = 0.000200033 secs -create_atoms 1 single 16 9 4 -Created 1 atoms - Time spent = 0.000183105 secs -create_atoms 1 single 10 12 4 -Created 1 atoms - Time spent = 0.000180006 secs -create_atoms 1 single 31 44 4 -Created 1 atoms - Time spent = 0.000190973 secs -create_atoms 1 single 13 17 4 -Created 1 atoms - Time spent = 0.000185013 secs -create_atoms 1 single 8.5 28.5 4 -Created 1 atoms - Time spent = 0.00018692 secs -create_atoms 1 single 23 26 4 -Created 1 atoms - Time spent = 0.000179052 secs -create_atoms 1 single 38 27 4 -Created 1 atoms - Time spent = 0.000191927 secs -create_atoms 1 single 37.5 4.5 4 -Created 1 atoms - Time spent = 0.000238895 secs -create_atoms 1 single 41.5 47.5 4 -Created 1 atoms - Time spent = 0.000191927 secs -create_atoms 1 single 20.5 37.5 4 -Created 1 atoms - Time spent = 0.000185966 secs -create_atoms 1 single 5 8 4 -Created 1 atoms - Time spent = 0.000170946 secs -create_atoms 1 single 2.5 16.5 4 -Created 1 atoms - Time spent = 0.000174046 secs -create_atoms 1 single 38.5 45.5 4 -Created 1 atoms - Time spent = 0.000172853 secs -create_atoms 1 single 9 0 4 -Created 1 atoms - Time spent = 0.000187159 secs -create_atoms 1 single 39 32 4 -Created 1 atoms - Time spent = 0.000180006 secs -create_atoms 1 single 45.5 11.5 4 -Created 1 atoms - Time spent = 0.000189066 secs -create_atoms 1 single 40 0 4 -Created 1 atoms - Time spent = 0.000170946 secs -create_atoms 1 single 44.5 2.5 4 -Created 1 atoms - Time spent = 0.000191927 secs -create_atoms 1 single 4.5 44.5 4 -Created 1 atoms - Time spent = 0.000169992 secs -create_atoms 1 single 24.5 13.5 4 -Created 1 atoms - Time spent = 0.000166893 secs -create_atoms 1 single 47.5 23.5 4 -Created 1 atoms - Time spent = 0.000181913 secs -create_atoms 1 single 1 20 4 -Created 1 atoms - Time spent = 0.000167131 secs -create_atoms 1 single 38.5 31.5 4 -Created 1 atoms - Time spent = 0.000169039 secs -create_atoms 1 single 12.5 12.5 4 -Created 1 atoms - Time spent = 0.000165939 secs -create_atoms 1 single 2 27 4 -Created 1 atoms - Time spent = 0.000170231 secs -create_atoms 1 single 21 5 4 -Created 1 atoms - Time spent = 0.00018096 secs -create_atoms 1 single 47 12 4 -Created 1 atoms - Time spent = 0.000166178 secs -create_atoms 1 single 32.5 46.5 4 -Created 1 atoms - Time spent = 0.000166893 secs -create_atoms 1 single 9.5 40.5 4 -Created 1 atoms - Time spent = 0.000165939 secs -create_atoms 1 single 8.5 2.5 4 -Created 1 atoms - Time spent = 0.000169039 secs -create_atoms 1 single 41.5 22.5 4 -Created 1 atoms - Time spent = 0.000175953 secs -create_atoms 1 single 29 11 4 -Created 1 atoms - Time spent = 0.000165939 secs -create_atoms 1 single 3.5 3.5 4 -Created 1 atoms - Time spent = 0.000174999 secs -create_atoms 1 single 5 21 4 -Created 1 atoms - Time spent = 0.0001719 secs -create_atoms 1 single 46.5 31.5 4 -Created 1 atoms - Time spent = 0.000169992 secs -create_atoms 1 single 35 46 4 -Created 1 atoms - Time spent = 0.000178099 secs -create_atoms 1 single 40.5 41.5 4 -Created 1 atoms - Time spent = 0.000168085 secs -create_atoms 1 single 10 22 4 -Created 1 atoms - Time spent = 0.000169992 secs -create_atoms 1 single 43.5 14.5 4 -Created 1 atoms - Time spent = 0.000169039 secs -create_atoms 1 single 42 42 4 -Created 1 atoms - Time spent = 0.000184059 secs -create_atoms 1 single 4 26 4 -Created 1 atoms - Time spent = 0.000178814 secs -create_atoms 1 single 19 34 4 -Created 1 atoms - Time spent = 0.0001688 secs -create_atoms 1 single 33 9 4 -Created 1 atoms - Time spent = 0.000168085 secs -create_atoms 1 single 0.5 45.5 4 -Created 1 atoms - Time spent = 0.000169992 secs -create_atoms 1 single 30.5 32.5 4 -Created 1 atoms - Time spent = 0.000169992 secs -create_atoms 1 single 25.5 5.5 4 -Created 1 atoms - Time spent = 0.000169039 secs -create_atoms 1 single 47.5 39.5 4 -Created 1 atoms - Time spent = 0.000169039 secs -create_atoms 1 single 15 13 4 -Created 1 atoms - Time spent = 0.000174046 secs -create_atoms 1 single 21 21 4 -Created 1 atoms - Time spent = 0.000166893 secs -create_atoms 1 single 14 28 4 -Created 1 atoms - Time spent = 0.000170946 secs -create_atoms 1 single 9 34 4 -Created 1 atoms - Time spent = 0.000174999 secs -create_atoms 1 single 7 38 4 -Created 1 atoms - Time spent = 0.000167847 secs -create_atoms 1 single 11 35 4 -Created 1 atoms - Time spent = 0.000168085 secs -create_atoms 1 single 20.5 45.5 4 -Created 1 atoms - Time spent = 0.000177145 secs -create_atoms 1 single 30.5 31.5 4 -Created 1 atoms - Time spent = 0.000167131 secs -create_atoms 1 single 32.5 2.5 4 -Created 1 atoms - Time spent = 0.000169039 secs -create_atoms 1 single 21.5 3.5 4 -Created 1 atoms - Time spent = 0.000166893 secs -create_atoms 1 single 23 12 4 -Created 1 atoms - Time spent = 0.000169039 secs -create_atoms 1 single 4.5 33.5 4 -Created 1 atoms - Time spent = 0.000178099 secs -create_atoms 1 single 46 43 4 -Created 1 atoms - Time spent = 0.000175953 secs -create_atoms 1 single 42.5 45.5 4 -Created 1 atoms - Time spent = 0.000169992 secs -create_atoms 1 single 4.5 10.5 4 -Created 1 atoms - Time spent = 0.000175953 secs -create_atoms 1 single 33.5 15.5 4 -Created 1 atoms - Time spent = 0.000158787 secs -create_atoms 1 single 24 5 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 13 16 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 16.5 23.5 4 -Created 1 atoms - Time spent = 0.000160933 secs -create_atoms 1 single 45.5 28.5 4 -Created 1 atoms - Time spent = 0.000159025 secs -create_atoms 1 single 44.5 5.5 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 27.5 46.5 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 44.5 12.5 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 12 41 4 -Created 1 atoms - Time spent = 0.000166893 secs -create_atoms 1 single 6 4 4 -Created 1 atoms - Time spent = 0.0001688 secs -create_atoms 1 single 31.5 10.5 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 1 44 4 -Created 1 atoms - Time spent = 0.000157833 secs -create_atoms 1 single 31 4 4 -Created 1 atoms - Time spent = 0.000156879 secs -create_atoms 1 single 21 33 4 -Created 1 atoms - Time spent = 0.000172138 secs -create_atoms 1 single 3 33 4 -Created 1 atoms - Time spent = 0.000156879 secs -create_atoms 1 single 15 10 4 -Created 1 atoms - Time spent = 0.000156879 secs -create_atoms 1 single 28.5 22.5 4 -Created 1 atoms - Time spent = 0.000161886 secs -create_atoms 1 single 43 1 4 -Created 1 atoms - Time spent = 0.000166178 secs -create_atoms 1 single 3.5 0.5 4 -Created 1 atoms - Time spent = 0.000164986 secs -create_atoms 1 single 41 37 4 -Created 1 atoms - Time spent = 0.000160933 secs -create_atoms 1 single 18.5 43.5 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 17 27 4 -Created 1 atoms - Time spent = 0.000159025 secs -create_atoms 1 single 3 5 4 -Created 1 atoms - Time spent = 0.000161171 secs -create_atoms 1 single 18.5 23.5 4 -Created 1 atoms - Time spent = 0.000164986 secs -create_atoms 1 single 31.5 14.5 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 41 31 4 -Created 1 atoms - Time spent = 0.000159979 secs -create_atoms 1 single 22 3 4 -Created 1 atoms - Time spent = 0.000158787 secs -create_atoms 1 single 14.5 40.5 4 -Created 1 atoms - Time spent = 0.000156879 secs -create_atoms 1 single 9 38 4 -Created 1 atoms - Time spent = 0.000155926 secs -create_atoms 1 single 36 42 4 -Created 1 atoms - Time spent = 0.000170231 secs -create_atoms 1 single 33 22 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 15.5 47.5 4 -Created 1 atoms - Time spent = 0.000162125 secs -create_atoms 1 single 3 0 4 -Created 1 atoms - Time spent = 0.000157118 secs -create_atoms 1 single 25.5 27.5 4 -Created 1 atoms - Time spent = 0.000159025 secs -create_atoms 1 single 2.5 28.5 4 -Created 1 atoms - Time spent = 0.000166178 secs -create_atoms 1 single 29.5 28.5 4 -Created 1 atoms - Time spent = 0.000160933 secs -create_atoms 1 single 44.5 18.5 4 -Created 1 atoms - Time spent = 0.000155926 secs -create_atoms 1 single 26 40 4 -Created 1 atoms - Time spent = 0.000157833 secs -create_atoms 1 single 41 27 4 -Created 1 atoms - Time spent = 0.000156879 secs -create_atoms 1 single 39.5 5.5 4 -Created 1 atoms - Time spent = 0.000167847 secs -create_atoms 1 single 3 38 4 -Created 1 atoms - Time spent = 0.000156164 secs -create_atoms 1 single 35 29 4 -Created 1 atoms - Time spent = 0.000154018 secs -create_atoms 1 single 11 19 4 -Created 1 atoms - Time spent = 0.000164032 secs -create_atoms 1 single 18 1 4 -Created 1 atoms - Time spent = 0.000154972 secs -create_atoms 1 single 39.5 40.5 4 -Created 1 atoms - Time spent = 0.000157118 secs -create_atoms 1 single 46 17 4 -Created 1 atoms - Time spent = 0.000164986 secs -create_atoms 1 single 1.5 23.5 4 -Created 1 atoms - Time spent = 0.00015521 secs -create_atoms 1 single 28.5 23.5 4 -Created 1 atoms - Time spent = 0.000153065 secs -create_atoms 1 single 10 28 4 -Created 1 atoms - Time spent = 0.000154018 secs -create_atoms 1 single 19 47 4 -Created 1 atoms - Time spent = 0.000159979 secs -create_atoms 1 single 10.5 16.5 4 -Created 1 atoms - Time spent = 0.000163078 secs -create_atoms 1 single 38 45 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 42.5 41.5 4 -Created 1 atoms - Time spent = 0.000159025 secs -create_atoms 1 single 47.5 42.5 4 -Created 1 atoms - Time spent = 0.000155926 secs -create_atoms 1 single 38 7 4 -Created 1 atoms - Time spent = 0.000154018 secs -create_atoms 1 single 10 44 4 -Created 1 atoms - Time spent = 0.000158072 secs -create_atoms 1 single 29.5 27.5 4 -Created 1 atoms - Time spent = 0.000159025 secs -create_atoms 1 single 45 30 4 -Created 1 atoms - Time spent = 0.000172138 secs -create_atoms 1 single 3 9 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 8.5 35.5 4 -Created 1 atoms - Time spent = 0.000148058 secs -create_atoms 1 single 24 44 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 47 4 4 -Created 1 atoms - Time spent = 0.000155926 secs -create_atoms 1 single 7.5 8.5 4 -Created 1 atoms - Time spent = 0.000146866 secs -create_atoms 1 single 32.5 41.5 4 -Created 1 atoms - Time spent = 0.000146151 secs -create_atoms 1 single 0.5 34.5 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 11 8 4 -Created 1 atoms - Time spent = 0.000146866 secs -create_atoms 1 single 2 40 4 -Created 1 atoms - Time spent = 0.000148058 secs -create_atoms 1 single 25 24 4 -Created 1 atoms - Time spent = 0.000154018 secs -create_atoms 1 single 47.5 6.5 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 39.5 28.5 4 -Created 1 atoms - Time spent = 0.000147104 secs -create_atoms 1 single 17 21 4 -Created 1 atoms - Time spent = 0.000150919 secs -create_atoms 1 single 32 43 4 -Created 1 atoms - Time spent = 0.000149012 secs -create_atoms 1 single 16.5 29.5 4 -Created 1 atoms - Time spent = 0.000154972 secs -create_atoms 1 single 34 34 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 11.5 3.5 4 -Created 1 atoms - Time spent = 0.000148058 secs -create_atoms 1 single 39 22 4 -Created 1 atoms - Time spent = 0.000148058 secs -create_atoms 1 single 24.5 36.5 4 -Created 1 atoms - Time spent = 0.000146151 secs -create_atoms 1 single 33 31 4 -Created 1 atoms - Time spent = 0.000149965 secs -create_atoms 1 single 35.5 35.5 4 -Created 1 atoms - Time spent = 0.000185966 secs -create_atoms 1 single 14.5 34.5 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 34 28 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 37 41 4 -Created 1 atoms - Time spent = 0.000146866 secs -create_atoms 1 single 33 46 4 -Created 1 atoms - Time spent = 0.000149965 secs -create_atoms 1 single 27.5 28.5 4 -Created 1 atoms - Time spent = 0.000149965 secs -create_atoms 1 single 40.5 22.5 4 -Created 1 atoms - Time spent = 0.000148773 secs -create_atoms 1 single 27.5 1.5 4 -Created 1 atoms - Time spent = 0.00014782 secs -create_atoms 1 single 12 2 4 -Created 1 atoms - Time spent = 0.000146151 secs -create_atoms 1 single 36 43 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 28.5 9.5 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 20.5 25.5 4 -Created 1 atoms - Time spent = 0.000154972 secs -create_atoms 1 single 3 3 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 38 33 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 3 20 4 -Created 1 atoms - Time spent = 0.000149012 secs -create_atoms 1 single 35 11 4 -Created 1 atoms - Time spent = 0.000154018 secs -create_atoms 1 single 5 25 4 -Created 1 atoms - Time spent = 0.00014782 secs -create_atoms 1 single 36.5 6.5 4 -Created 1 atoms - Time spent = 0.000152111 secs -create_atoms 1 single 19.5 24.5 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 27 41 4 -Created 1 atoms - Time spent = 0.000147104 secs -create_atoms 1 single 39.5 11.5 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 21.5 2.5 4 -Created 1 atoms - Time spent = 0.000152111 secs -create_atoms 1 single 46.5 15.5 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 13 24 4 -Created 1 atoms - Time spent = 0.000153065 secs -create_atoms 1 single 11 37 4 -Created 1 atoms - Time spent = 0.000146866 secs -create_atoms 1 single 11.5 31.5 4 -Created 1 atoms - Time spent = 0.000158787 secs -create_atoms 1 single 47 0 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 25.5 17.5 4 -Created 1 atoms - Time spent = 0.000144005 secs -create_atoms 1 single 32 11 4 -Created 1 atoms - Time spent = 0.000149012 secs -create_atoms 1 single 8 17 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 27.5 12.5 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 25 7 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 25.5 37.5 4 -Created 1 atoms - Time spent = 0.000161886 secs -create_atoms 1 single 12 15 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 1 7 4 -Created 1 atoms - Time spent = 0.000154972 secs -create_atoms 1 single 18.5 47.5 4 -Created 1 atoms - Time spent = 0.000162125 secs -create_atoms 1 single 5 38 4 -Created 1 atoms - Time spent = 0.000145197 secs -create_atoms 1 single 42 19 4 -Created 1 atoms - Time spent = 0.000147104 secs -create_atoms 1 single 30.5 7.5 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 42.5 7.5 4 -Created 1 atoms - Time spent = 0.000145912 secs -create_atoms 1 single 26.5 18.5 4 -Created 1 atoms - Time spent = 0.000150919 secs -create_atoms 1 single 18.5 1.5 4 -Created 1 atoms - Time spent = 0.000144958 secs -create_atoms 1 single 41.5 10.5 4 -Created 1 atoms - Time spent = 0.000151873 secs - -# define frozen substrate and mobile atoms - -region base block INF INF INF INF 0 1.8 -set region base type 2 - 18432 settings made for type -group base type 2 -18432 atoms in group base -group mobile type 1 -18616 atoms in group mobile - -# pair style - -pair_style eam/alloy -pair_coeff * * ptvoterlammps.eam Pt Pt - -neighbor 0.5 bin -neigh_modify every 1 delay 5 check yes - -fix 1 mobile nve -fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes -fix 2 mobile langevin 400.0 ${Tequil} 1.0 ${seed} zero yes -fix 2 mobile langevin 400.0 400.0 1.0 ${seed} zero yes -fix 2 mobile langevin 400.0 400.0 1.0 826626413 zero yes - -timestep 0.005 - -compute tmobile mobile temp - -thermo 100 -thermo_modify temp tmobile -WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487) - -# thermal equilibration - -run 1000 -Neighbor list info ... - update every 1 steps, delay 5 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 6.07583 - ghost atom cutoff = 12 - binsize = 3.03792, bins = 62 62 7 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair eam/alloy, perpetual - attributes: half, newton on - pair build: half/bin/atomonly/newton - stencil: half/bin/3d/newton - bin: standard -Per MPI rank memory allocation (min/avg/max) = 3.359 | 3.359 | 3.36 Mbytes -Step Temp E_pair E_mol TotEng Press - 0 0 -206220.22 0 -206220.22 -52155.664 - 100 188.18127 -206044.43 0 -205591.63 -25068.83 - 200 274.34464 -205860.78 0 -205200.66 -40191.797 - 300 325.66286 -205750.01 0 -204966.4 -31510.222 - 400 352.48242 -205675.42 0 -204827.28 -35058.064 - 500 370.88571 -205619.66 0 -204727.25 -32735.022 - 600 388.62129 -205592.87 0 -204657.78 -33904.556 - 700 389.54874 -205579.73 0 -204642.4 -32769.852 - 800 395.56074 -205576.82 0 -204625.03 -33755.948 - 900 398.03458 -205564.48 0 -204606.74 -32777.103 - 1000 401.24089 -205562.85 0 -204597.4 -33785.341 -Loop time of 4.22555 on 16 procs for 1000 steps with 37048 atoms - -Performance: 102.235 ns/day, 0.235 hours/ns, 236.655 timesteps/s -98.5% CPU use with 16 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 3.2988 | 3.3283 | 3.3788 | 1.5 | 78.77 -Neigh | 0.22391 | 0.23756 | 0.28119 | 2.7 | 5.62 -Comm | 0.31341 | 0.3888 | 0.49372 | 8.0 | 9.20 -Output | 0.00041842 | 0.00042947 | 0.00048399 | 0.0 | 0.01 -Modify | 0.17166 | 0.2512 | 0.35242 | 9.5 | 5.94 -Other | | 0.0193 | | | 0.46 - -Nlocal: 2315.5 ave 2332 max 2297 min -Histogram: 2 0 0 3 4 0 2 1 2 2 -Nghost: 3186.31 ave 3205 max 3170 min -Histogram: 2 1 3 0 2 3 2 1 0 2 -Neighs: 55590.9 ave 56174 max 55103 min -Histogram: 2 2 1 1 4 1 3 0 0 2 - -Total # of neighbors = 889454 -Ave neighs/atom = 24.0082 -Neighbor list builds = 105 -Dangerous builds = 0 -reset_timestep 0 - -# pin base so will not move during quenches - -fix freeze base setforce 0.0 0.0 0.0 - -# event detection - -compute event all event/displace ${cutevent} -compute event all event/displace 1.1 - -# hyper/local - -fix HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil} ${Dcut} ${alpha} ${boost} -fix HL mobile hyper/local 3.2 ${qfactor} ${Vmax} ${Tequil} ${Dcut} ${alpha} ${boost} -fix HL mobile hyper/local 3.2 0.3 ${Vmax} ${Tequil} ${Dcut} ${alpha} ${boost} -fix HL mobile hyper/local 3.2 0.3 0.4 ${Tequil} ${Dcut} ${alpha} ${boost} -fix HL mobile hyper/local 3.2 0.3 0.4 400.0 ${Dcut} ${alpha} ${boost} -fix HL mobile hyper/local 3.2 0.3 0.4 400.0 10.0 ${alpha} ${boost} -fix HL mobile hyper/local 3.2 0.3 0.4 400.0 10.0 200.0 ${boost} -fix HL mobile hyper/local 3.2 0.3 0.4 400.0 10.0 200.0 4000.0 - -# thermo output - -thermo_style custom step temp pe f_HL f_HL[*] -WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705) - -thermo_modify lost ignore -thermo_modify temp tmobile -WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487) - -thermo ${nevent} -thermo 100 - -# dump - -region substrate block INF INF INF INF 1.8 3.8 -region adatoms block INF INF INF INF 3.8 INF -variable acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms) - -dump 1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01 -dump 1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01 -dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green - -# test of histogramming and dump output of bias coeffs - -#fix histo all ave/histo 10 100 1000 0.9 1.1 100 f_HL # mode vector kind local file tmp.histo -#dump 2 all local 1000 tmp.local f_HL - -# run - -hyper ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1 -hyper 1500 ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1 -hyper 1500 100 HL event min ${tol} ${tol} 1000 1000 dump 1 -hyper 1500 100 HL event min 1.0e-15 ${tol} 1000 1000 dump 1 -hyper 1500 100 HL event min 1.0e-15 1.0e-15 1000 1000 dump 1 -WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133) -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 6.07583 - ghost atom cutoff = 12 - binsize = 3.03792, bins = 62 62 7 - 3 neighbor lists, perpetual/occasional/extra = 1 2 0 - (1) pair eam/alloy, perpetual - attributes: half, newton on - pair build: half/bin/atomonly/newton - stencil: half/bin/3d/newton - bin: standard - (2) fix hyper/local, occasional - attributes: full, newton on, cut 10 - pair build: full/bin/atomonly - stencil: full/bin/3d - bin: standard - (3) fix hyper/local, occasional, copy from (1) - attributes: half, newton on - pair build: copy - stencil: none - bin: none -Per MPI rank memory allocation (min/avg/max) = 6.941 | 6.942 | 6.942 Mbytes -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 0 401.24089 -205562.85 0 0 0 1 0 0 0 0 0 0 0 1e+20 0 0 0 0 0 0 0 0 0 0 - 77 401.24089 -206534.96 0 0 0 1 0 0 0 0 0 0 0 1e+20 0 0 0 0 0 0 1540 0 0 0 -Loop time of 0.51152 on 16 procs for 77 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 0 401.24089 -205562.85 24.755808 79 0.18753621 0 6.0138739 705.15041 3.5350432 0 0 0 0 1e+20 0 0 0 0 0 0 0 0 0 0 - 100 400.6027 -205547.79 21.854739 92 0.43709939 0.99825259 6.0138739 705.15041 4.230764 92.74 0.03245633 0.0067931852 0.99890138 0.98969319 1.0024404 0 0 0 0 0 2000 0 0 0 -Loop time of 0.453073 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 100 400.6027 -205547.79 21.854739 92 0.43709939 0.99825259 6.0138739 705.15041 4.230764 92.74 0.03245633 0.0067931852 0.99890138 0.98969319 1.0024404 0 0 0 0 0 2000 0 0 0 - 177 400.6027 -206534.96 21.854739 92 0.43709939 0.99825259 6.0138739 705.15041 4.230764 52.39548 0.03245633 0.0067931852 0.56435106 0.98969319 1.0024404 0 0 0 0 0 3540 0 0 0 -Loop time of 0.494676 on 16 procs for 77 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 100 400.6027 -205547.79 21.854339 92 0.43709939 0.99825259 6.0138739 705.15041 4.230764 92.74 0.03245633 0.0067931852 0.99890138 0.98969319 1.0024404 0 0 0 0 0 2000 0 0 0 - 200 400.46944 -205544.7 23.349576 97 0.33740983 0.99723256 6.0138739 705.15041 4.230764 92.525 0.040097271 0.0058362605 0.99830632 0.98259113 1.0048777 0 0 0 0 0 4000 0 0 0 -Loop time of 0.450918 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 200 400.46944 -205544.7 23.349576 97 0.33740983 0.99723256 6.0138739 705.15041 4.230764 92.525 0.040097271 0.0058362605 0.99830632 0.98259113 1.0048777 0 0 0 0 0 4000 0 0 0 - 273 400.46944 -206534.96 23.349576 97 0.33740983 0.99723256 6.0138739 705.15041 4.230764 67.783883 0.040097271 0.0058362605 0.73135994 0.98259113 1.0048777 0 0 0 0 0 5460 0 0 0 -Loop time of 0.488918 on 16 procs for 73 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 200 400.46944 -205544.7 23.349184 97 0.33740983 0.99723256 6.0138739 705.15041 4.230764 92.525 0.040097271 0.0058362605 0.99830632 0.98259113 1.0048777 0 0 0 0 0 4000 0 0 0 - 300 396.89568 -205540.38 19.394419 94 0.35022551 0.99673595 6.0138739 705.15041 4.230764 93.376667 0.047799236 0.0063898904 0.99785232 0.97756247 1.0073497 0 0 0 0 0 6000 0 0 0 -Loop time of 0.45579 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 300 396.89568 -205540.38 19.394419 94 0.35022551 0.99673595 6.0138739 705.15041 4.230764 93.376667 0.047799236 0.0063898904 0.99785232 0.97756247 1.0073497 0 0 0 0 0 6000 0 0 0 - 373 396.89568 -206534.96 19.394419 94 0.35022551 0.99673595 6.0138739 705.15041 4.230764 75.101877 0.047799236 0.0063898904 0.80256219 0.97756247 1.0073497 0 0 0 0 0 7460 0 0 0 -Loop time of 0.49254 on 16 procs for 73 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 300 396.89568 -205540.38 19.394206 94 0.35022551 0.99673595 6.0138739 705.15041 4.230764 93.376667 0.047799236 0.0063898904 0.99785232 0.97756247 1.0073497 0 0 0 0 0 6000 0 0 0 - 400 399.1218 -205541.68 18.990804 94 0.3505205 0.99638391 6.0138739 705.15041 4.230764 93.3775 0.055982437 0.0068271264 0.99752641 0.97044214 1.0098482 0 0 0 0 0 8000 0 0 0 -Loop time of 0.452751 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 400 399.1218 -205541.68 18.990804 94 0.3505205 0.99638391 6.0138739 705.15041 4.230764 93.3775 0.055982437 0.0068271264 0.99752641 0.97044214 1.0098482 0 0 0 0 0 8000 0 0 0 - 475 399.1218 -206534.96 18.990804 94 0.3505205 0.99638391 6.0138739 705.15041 4.230764 78.633684 0.055982437 0.0068271264 0.84002224 0.97044214 1.0098482 0 0 0 0 0 9500 0 0 0 -Loop time of 0.4963 on 16 procs for 75 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 400 399.1218 -205541.68 18.990689 94 0.3505205 0.99638391 6.0138739 705.15041 4.230764 93.3775 0.055982437 0.0068271264 0.99752641 0.97044214 1.0098482 0 0 0 0 0 8000 0 0 0 - 500 399.61667 -205539.79 19.794362 99 0.33740217 0.99633812 6.0138739 705.15041 4.230764 93.222 0.063096694 0.0076591363 0.99729174 0.96745199 1.0123163 0 0 0 0 0 10000 0 0 0 -Loop time of 0.45226 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 500 399.61667 -205539.79 19.794362 99 0.33740217 0.99633812 6.0138739 705.15041 4.230764 93.222 0.063096694 0.0076591363 0.99729174 0.96745199 1.0123163 0 0 0 0 0 10000 0 0 0 - 577 399.61667 -206534.96 19.794362 99 0.33740217 0.99633812 6.0138739 705.15041 4.230764 80.781629 0.063096694 0.0076591363 0.86420428 0.96745199 1.0123163 0 0 0 0 0 11540 0 0 0 -Loop time of 0.518479 on 16 procs for 77 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 500 399.61667 -205539.79 19.79402 99 0.33740217 0.99633812 6.0138739 705.15041 4.230764 93.222 0.063096694 0.0076591363 0.99729174 0.96745199 1.0123163 0 0 0 0 0 10000 0 0 0 - 600 397.41676 -205529.51 20.336863 99 0.35185916 0.99625666 6.0138739 705.15041 4.230764 93.621667 0.066686842 0.0091859078 0.99712746 0.96713729 1.0148143 0 0 0 0 0 12000 0 0 0 -Loop time of 0.452059 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 600 397.41676 -205529.51 20.336863 99 0.35185916 0.99625666 6.0138739 705.15041 4.230764 93.621667 0.066686842 0.0091859078 0.99712746 0.96713729 1.0148143 0 0 0 0 0 12000 0 0 0 - 677 397.41676 -206534.96 20.336863 99 0.35185916 0.99625666 6.0138739 705.15041 4.230764 82.973412 0.066686842 0.0091859078 0.8837171 0.96713729 1.0148143 0 0 0 0 0 13540 0 0 0 -Loop time of 0.5171 on 16 procs for 77 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 600 397.41676 -205529.51 20.336526 99 0.35185916 0.99625666 6.0138739 705.15041 4.230764 93.621667 0.066686842 0.0091859078 0.99712746 0.96713729 1.0148143 0 0 0 0 0 12000 0 0 0 - 700 403.33442 -205550.89 18.955866 93 0.42542334 0.99592297 6.0138739 705.15041 4.230764 94.135714 0.068078003 0.0094089081 0.99698101 0.9641519 1.0173022 0 0 0 0 0 14000 0 0 0 -Loop time of 0.450117 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 700 403.33442 -205550.89 18.955866 93 0.42542334 0.99592297 6.0138739 705.15041 4.230764 94.135714 0.068078003 0.0094089081 0.99698101 0.9641519 1.0173022 0 0 0 0 0 14000 0 0 0 - 783 403.33442 -206534.96 18.955866 93 0.42542334 0.99592297 6.0138739 705.15041 4.230764 84.157088 0.068078003 0.0094089081 0.89129847 0.9641519 1.0173022 0 0 0 0 0 15660 0 0 0 -Loop time of 0.541959 on 16 procs for 83 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 700 403.33442 -205550.89 18.955589 93 0.42542334 0.99592297 6.0138739 705.15041 4.230764 94.135714 0.068078003 0.0094089081 0.99698101 0.9641519 1.0173022 0 0 0 0 0 14000 0 0 0 - 800 397.5897 -205530.58 19.298375 97 0.42432974 0.99573055 6.0138739 705.15041 4.2562861 94.69125 0.070492258 0.0098477948 0.99683461 0.96199283 1.0198015 0 0 0 0 0 16000 0 0 0 -Loop time of 0.454322 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 800 397.5897 -205530.58 19.298375 97 0.42432974 0.99573055 6.0138739 705.15041 4.2562861 94.69125 0.070492258 0.0098477948 0.99683461 0.96199283 1.0198015 0 0 0 0 0 16000 0 0 0 - 877 397.5897 -206534.96 19.298375 97 0.42432974 0.99573055 6.0138739 705.15041 4.2562861 86.377423 0.070492258 0.0098477948 0.90931322 0.96199283 1.0198015 0 0 0 0 0 17540 0 0 0 -Loop time of 0.502899 on 16 procs for 77 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 800 397.5897 -205530.58 19.29822 97 0.42432974 0.99573055 6.0138739 705.15041 4.2562861 94.69125 0.070492258 0.0098477948 0.99683461 0.96199283 1.0198015 0 0 0 0 0 16000 0 0 0 - 900 402.04231 -205545.55 18.434766 91 0.34927854 0.99563819 6.0138739 705.15041 4.2562861 94.956667 0.072594517 0.0091737752 0.99670822 0.95723843 1.0223007 0 0 0 0 0 18000 0 0 0 -Loop time of 0.451618 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 900 402.04231 -205545.55 18.434766 91 0.34927854 0.99563819 6.0138739 705.15041 4.2562861 94.956667 0.072594517 0.0091737752 0.99670822 0.95723843 1.0223007 0 0 0 0 0 18000 0 0 0 - 976 402.04231 -206534.96 18.434766 91 0.34927854 0.99563819 6.0138739 705.15041 4.2562861 87.5625 0.072594517 0.0091737752 0.91909569 0.95723843 1.0223007 0 0 0 0 0 19520 0 0 0 -Loop time of 0.493429 on 16 procs for 76 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 900 402.04231 -205545.55 18.434576 91 0.34927854 0.99563819 6.0138739 705.15041 4.2562861 94.956667 0.072594517 0.0091737752 0.99670822 0.95723843 1.0223007 0 0 0 0 0 18000 0 0 0 - 1000 403.13682 -205538.62 20.371378 100 0.36854432 0.99555559 6.0138739 705.15041 4.2562861 94.973 0.075589904 0.0088025018 0.99659567 0.95567008 1.0247999 0 0 0 0 0 20000 0 0 0 -Loop time of 0.452482 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1000 403.13682 -205538.62 20.371378 100 0.36854432 0.99555559 6.0138739 705.15041 4.2562861 94.973 0.075589904 0.0088025018 0.99659567 0.95567008 1.0247999 0 0 0 0 0 20000 0 0 0 - 1081 403.13682 -206534.96 20.371378 100 0.36854432 0.99555559 6.0138739 705.15041 4.2562861 87.856614 0.075589904 0.0088025018 0.92192014 0.95567008 1.0247999 0 0 0 0 0 21620 0 0 0 -Loop time of 0.521678 on 16 procs for 81 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1000 403.13682 -205538.62 20.371013 100 0.36854432 0.99555559 6.0138739 705.15041 4.2562861 94.973 0.075589904 0.0088025018 0.99659567 0.95567008 1.0247999 0 0 0 0 0 20000 0 0 0 - 1100 401.64961 -205531.15 16.838899 93 0.37998317 0.99541314 6.0138739 705.15041 4.2562861 95.323636 0.077697032 0.0088979171 0.99649521 0.95206312 1.0272987 0 0 0 0 0 22000 0 0 0 -Loop time of 0.452415 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1100 401.64961 -205531.15 16.838899 93 0.37998317 0.99541314 6.0138739 705.15041 4.2562861 95.323636 0.077697032 0.0088979171 0.99649521 0.95206312 1.0272987 0 0 0 0 0 22000 0 0 0 - 1179 401.64961 -206534.96 16.838899 93 0.37998317 0.99541314 6.0138739 705.15041 4.2562861 88.936387 0.077697032 0.0088979171 0.92972412 0.95206312 1.0272987 0 0 0 0 0 23580 0 0 0 -Loop time of 0.50337 on 16 procs for 79 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1100 401.64961 -205531.15 16.838708 93 0.37998317 0.99541314 6.0138739 705.15041 4.2562861 95.323636 0.077697032 0.0088979171 0.99649521 0.95206312 1.0272987 0 0 0 0 0 22000 0 0 0 - 1200 400.40964 -205539.37 19.135216 99 0.67128843 0.99558682 6.0138739 705.15041 4.6317552 95.505 0.080458266 0.0085684868 0.99641317 0.95050066 1.029798 0 0 0 0 0 24000 0 0 0 -Loop time of 0.44891 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1200 400.40964 -205539.37 19.135216 99 0.67128843 0.99558682 6.0138739 705.15041 4.6317552 95.505 0.080458266 0.0085684868 0.99641317 0.95050066 1.029798 0 0 0 0 0 24000 0 0 0 - 1276 400.40964 -206534.97 19.135216 99 0.67128843 0.99558682 6.0138739 705.15041 4.6317552 89.816614 0.080458266 0.0085684868 0.93706567 0.95050066 1.029798 0 0 0 0 0 25520 0 0 0 -Loop time of 0.508519 on 16 procs for 76 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1200 400.40964 -205539.37 19.448471 100 0.41040038 0.99558682 6.0138739 705.141 4.6317552 95.505 0.080458266 0.0085684868 0.99641317 0.95050066 1.029798 2.2953088 0 0 0 0 24000 1 2 6 - 1300 401.71843 -205549 19.86411 94 0.31328255 0.99531422 6.0138739 705.141 4.6317552 95.636923 0.080786307 0.0080834567 0.99634504 0.95016182 1.0314365 2.2953088 0 0 0 0 26000 1 2 6 -Loop time of 0.453256 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1300 401.71843 -205549 19.86411 94 0.31328255 0.99531422 6.0138739 705.141 4.6317552 95.636923 0.080786307 0.0080834567 0.99634504 0.95016182 1.0314365 2.2953088 0 0 0 0 26000 1 2 6 - 1376 401.71843 -206534.97 19.86411 94 0.31328255 0.99531422 6.0138739 705.141 4.6317552 90.354651 0.080786307 0.0080834567 0.94131435 0.95016182 1.0314365 2.2953088 0 0 0 0 27520 1 2 6 -Loop time of 0.502886 on 16 procs for 76 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1300 401.71843 -205549 19.863856 94 0.31328255 0.99531422 6.0138739 705.141 4.6317552 95.636923 0.080786307 0.0080834567 0.99634504 0.95016182 1.0314365 2.2953088 0 0 0 0 26000 1 2 6 - 1400 397.79762 -205534.95 19.064761 90 0.33635396 0.99488167 6.0138739 705.141 4.6317552 95.55 0.080145025 0.0081557898 0.99625782 0.94925079 1.0339117 2.2953088 0 0 0 0 28000 1 2 6 -Loop time of 0.453094 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1400 397.79762 -205534.95 19.064761 90 0.33635396 0.99488167 6.0138739 705.141 4.6317552 95.55 0.080145025 0.0081557898 0.99625782 0.94925079 1.0339117 2.2953088 0 0 0 0 28000 1 2 6 - 1477 397.79762 -206534.97 19.064761 90 0.33635396 0.99488167 6.0138739 705.141 4.6317552 90.56872 0.080145025 0.0081557898 0.94432021 0.94925079 1.0339117 2.2953088 0 0 0 0 29540 1 2 6 -Loop time of 0.515217 on 16 procs for 77 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1400 397.79762 -205534.95 19.064345 90 0.33635396 0.99488167 6.0138739 705.141 4.6317552 95.55 0.080145025 0.0081557898 0.99625782 0.94925079 1.0339117 2.2953088 0 0 0 0 28000 1 2 6 - 1500 400.56079 -205539.86 18.860257 93 0.35488977 0.99467946 6.0138739 705.141 4.6317552 95.578667 0.080575861 0.0083561185 0.99615829 0.94636637 1.0355154 2.2953088 0 0 0 0 30000 1 2 6 -Loop time of 0.450111 on 16 procs for 100 steps with 37048 atoms - -Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] - 1500 400.56079 -205539.86 18.860257 93 0.35488977 0.99467946 6.0138739 705.141 4.6317552 95.578667 0.080575861 0.0083561185 0.99615829 0.94636637 1.0355154 2.2953088 0 0 0 0 30000 1 2 6 - 1584 400.56079 -206534.97 18.860257 93 0.35488977 0.99467946 6.0138739 705.141 4.6317552 90.510101 0.080575861 0.0083561185 0.94333171 0.94636637 1.0355154 2.2953088 0 0 0 0 31680 1 2 6 -Loop time of 0.566455 on 16 procs for 84 steps with 37048 atoms - -Final hyper stats ... - -Cummulative quantities for fix hyper: - hyper time = 30000 - time boost factor = 4000 - event timesteps = 1 - # of atoms in events = 2 -Quantities for this hyper run: - event timesteps = 1 - # of atoms in events = 2 - max length of any bond = 4.63176 - max drift distance of any atom = 2.29531 - fraction of biased bonds with zero bias = 0.0805759 - fraction of biased bonds with negative strain = 0.00835612 -Current quantities: - ave bonds/atom = 6.01387 -Cummulative quantities specific to fix hyper/local: - # of new bonds formed = 6 - max bonds/atom = 13 -Quantities for this hyper run specific to fix hyper/local: - ave biased bonds/step = 95.5787 - ave bias coeff of all bonds = 0.996158 - min bias coeff of any bond = 0.946366 - max bias coeff of any bond = 1.03552 - max dist from my subbox of any non-maxstrain bond ghost atom = 0 - max dist from my box of any bond ghost atom = 0 - count of bond ghost neighbors not found on reneighbor steps = 0 - bias overlaps = 0 - CPU time for bond builds = 0.0147002 -Current quantities specific to fix hyper/local: - neighbor bonds/bond = 705.141 - ave boost coeff for all bonds = 0.994679 - -Loop time of 14.9193 on 16 procs for 1500 steps with 37048 atoms - -Performance: 43.434 ns/day, 0.553 hours/ns, 100.541 timesteps/s -128.3% CPU use with 16 MPI tasks x no OpenMP threads - -Hyper stats: - Dynamics time (%) = 6.78318 (45.4657) - Quench time (%) = 7.66443 (51.3725) - Other time (%) = 0.189889 (1.27277) - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 11.726 | 11.881 | 12.051 | 2.6 | 79.64 -Neigh | 0.49995 | 0.52243 | 0.54427 | 1.9 | 3.50 -Comm | 0.34477 | 0.51495 | 0.62326 | 10.4 | 3.45 -Output | 0.0017493 | 0.0017652 | 0.0018535 | 0.1 | 0.01 -Modify | 1.7669 | 1.8088 | 1.8523 | 1.7 | 12.12 -Other | | 0.1899 | | | 1.27 - -Nlocal: 2315.5 ave 2353 max 2275 min -Histogram: 1 1 1 3 0 2 5 2 0 1 -Nghost: 3187.62 ave 3228 max 3148 min -Histogram: 1 0 2 4 2 2 1 3 0 1 -Neighs: 54002.8 ave 54567 max 53263 min -Histogram: 1 0 2 1 3 2 2 1 1 3 -FullNghs: 542996 ave 554820 max 527895 min -Histogram: 1 0 0 4 1 3 3 2 0 2 - -Total # of neighbors = 8687932 -Ave neighs/atom = 234.505 -Neighbor list builds = 166 -Dangerous builds = 0 -Total wall time: 0:00:19 diff --git a/examples/hyper/log.25Mar19.hyper.global.g++.4 b/examples/hyper/log.9Jan20.hyper.global.g++.4 similarity index 69% rename from examples/hyper/log.25Mar19.hyper.global.g++.4 rename to examples/hyper/log.9Jan20.hyper.global.g++.4 index 6a066d0d66..46fb8b9c6a 100644 --- a/examples/hyper/log.25Mar19.hyper.global.g++.4 +++ b/examples/hyper/log.9Jan20.hyper.global.g++.4 @@ -1,4 +1,4 @@ -LAMMPS (28 Feb 2019) +LAMMPS (09 Jan 2020) # 3d EAM surface for global HD # nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92 @@ -29,7 +29,7 @@ Created orthogonal box = (0 0 0) to (23.52 23.52 15.68) 2 by 2 by 1 MPI processor grid create_atoms 1 box Created 576 atoms - Time spent = 0.000785828 secs + create_atoms CPU = 0.000653982 secs mass * 1.0 @@ -37,7 +37,7 @@ change_box all z final -0.1 5.0 boundary p p f orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6) create_atoms 2 single 3.5 3.5 4 Created 1 atoms - Time spent = 5.79357e-05 secs + create_atoms CPU = 5.60284e-05 secs # define frozen substrate and mobile atoms @@ -71,7 +71,7 @@ compute tmobile mobile temp thermo 100 thermo_modify temp tmobile -WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487) +WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:485) # thermal equilibration @@ -88,7 +88,7 @@ Neighbor list info ... pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard -Per MPI rank memory allocation (min/avg/max) = 3.327 | 3.327 | 3.327 Mbytes +Per MPI rank memory allocation (min/avg/max) = 3.328 | 3.328 | 3.328 Mbytes Step Temp E_pair E_mol TotEng Press 0 0 -3213.9136 0 -3213.9136 -51843.125 100 223.70164 -3209.0653 0 -3200.7375 -26575.84 @@ -101,20 +101,20 @@ Step Temp E_pair E_mol TotEng Press 800 440.88631 -3198.37 0 -3181.9572 -34669.762 900 475.14414 -3198.5845 0 -3180.8964 -31191.883 1000 476.87852 -3197.3442 0 -3179.5914 -33731.074 -Loop time of 0.339602 on 4 procs for 1000 steps with 577 atoms +Loop time of 0.32812 on 4 procs for 1000 steps with 577 atoms -Performance: 1272.077 ns/day, 0.019 hours/ns, 2944.623 timesteps/s -98.7% CPU use with 4 MPI tasks x no OpenMP threads +Performance: 1316.591 ns/day, 0.018 hours/ns, 3047.663 timesteps/s +99.3% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 0.25294 | 0.26196 | 0.27409 | 1.5 | 77.14 -Neigh | 0.017554 | 0.018856 | 0.020498 | 0.8 | 5.55 -Comm | 0.027196 | 0.040838 | 0.050409 | 4.2 | 12.03 -Output | 0.00025296 | 0.0002721 | 0.00030828 | 0.0 | 0.08 -Modify | 0.013425 | 0.014212 | 0.014999 | 0.5 | 4.18 -Other | | 0.00346 | | | 1.02 +Pair | 0.24701 | 0.2559 | 0.26123 | 1.1 | 77.99 +Neigh | 0.016621 | 0.017332 | 0.018001 | 0.5 | 5.28 +Comm | 0.036607 | 0.039526 | 0.046 | 1.9 | 12.05 +Output | 0 | 0.00011289 | 0.00027895 | 0.0 | 0.03 +Modify | 0.010864 | 0.011739 | 0.013 | 0.8 | 3.58 +Other | | 0.003509 | | | 1.07 Nlocal: 144.25 ave 147 max 141 min Histogram: 1 0 0 1 0 0 0 0 1 1 @@ -149,11 +149,11 @@ fix HG mobile hyper/global 3.2 0.3 0.5 500.0 # thermo output thermo_style custom step temp pe f_HG f_HG[*] -WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705) +WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:708) thermo_modify lost ignore thermo_modify temp tmobile -WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487) +WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:485) thermo ${nevent} thermo 1000 @@ -175,7 +175,7 @@ hyper 100000 ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1 hyper 100000 1000 HG event min ${tol} ${tol} 1000 1000 dump 1 hyper 100000 1000 HG event min 1.0e-15 ${tol} 1000 1000 dump 1 hyper 100000 1000 HG event min 1.0e-15 1.0e-15 1000 1000 dump 1 -WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133) +WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:131) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 @@ -197,1007 +197,1007 @@ Per MPI rank memory allocation (min/avg/max) = 6.015 | 6.015 | 6.015 Mbytes Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 0 476.87852 -3197.3442 0 0 0 0 0 0 0 0 0 0 0 0 0 53 476.87852 -3217.9192 0 0 0 0 0 0 0 0 0 0 0 0 0 -Loop time of 0.0358047 on 4 procs for 53 steps with 577 atoms +Loop time of 0.03334 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 0 476.87852 -3197.3442 0.33187212 2213.7063 0.17396269 129 131 6.0069324 0 0 0 3.3552688 0 0 0 - 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 6.0069324 0.165 0 0 3.9974111 6134.6092 0 0 -Loop time of 0.342707 on 4 procs for 1000 steps with 577 atoms + 0 476.87852 -3197.3442 0.33187212 2213.7063 0.17396269 129 131 5.9965398 0 0 0 3.3552688 0 0 0 + 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0 +Loop time of 0.316692 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 6.0069324 0.165 0 0 3.9974111 6134.6092 0 0 - 1059 487.34979 -3217.9192 0.19401776 90.283981 0.23468448 543 548 6.0069324 0.15580737 0 0 3.9974111 6134.6092 0 0 -Loop time of 0.0359111 on 4 procs for 59 steps with 577 atoms + 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0 + 1059 487.34979 -3217.9192 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.15580737 0 0 3.9974111 6134.6092 0 0 +Loop time of 0.0318432 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 6.0069324 0.165 0 0 3.9974111 6134.6092 0 0 - 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 6.0069324 0.1645 0 0 4.0370436 10213.644 0 0 -Loop time of 0.305975 on 4 procs for 1000 steps with 577 atoms + 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0 + 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0 +Loop time of 0.28388 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 6.0069324 0.1645 0 0 4.0370436 10213.644 0 0 - 2057 522.93873 -3217.9192 0.1540961 35.745265 0.24952495 120 131 6.0069324 0.15994166 0 0 4.0370436 10213.644 0 0 -Loop time of 0.0335248 on 4 procs for 57 steps with 577 atoms + 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0 + 2057 522.93873 -3217.9192 0.1540961 35.745265 0.24952495 120 131 5.9965398 0.15994166 0 0 4.0370436 10213.644 0 0 +Loop time of 0.0298612 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 6.0069324 0.1645 0 0 4.0370436 10213.644 0 0 - 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 6.0069324 0.145 0 0 4.0370436 13331.739 0 0 -Loop time of 0.269706 on 4 procs for 1000 steps with 577 atoms + 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0 + 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0 +Loop time of 0.278586 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 6.0069324 0.145 0 0 4.0370436 13331.739 0 0 - 3059 485.3853 -3217.9192 0.081070047 6.563707 0.27460406 120 131 6.0069324 0.14220333 0 0 4.0370436 13331.739 0 0 -Loop time of 0.0265908 on 4 procs for 59 steps with 577 atoms + 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0 + 3059 485.3853 -3217.9192 0.081070047 6.563707 0.27460406 120 131 5.9965398 0.14220333 0 0 4.0370436 13331.739 0 0 +Loop time of 0.0294401 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 6.0069324 0.145 0 0 4.0370436 13331.739 0 0 - 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 6.0069324 0.17575 0 0 4.0370436 14355.723 0 0 -Loop time of 0.229504 on 4 procs for 1000 steps with 577 atoms + 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0 + 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 5.9965398 0.17575 0 0 4.0370436 14355.723 0 0 +Loop time of 0.276319 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 6.0069324 0.17575 0 0 4.0370436 14355.723 0 0 - 4060 522.88476 -3217.9192 0.020170911 1.5970319 0.29388643 548 555 6.0069324 0.17315271 0 0 4.0370436 14355.723 0 0 -Loop time of 0.0280094 on 4 procs for 60 steps with 577 atoms + 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 5.9965398 0.17575 0 0 4.0370436 14355.723 0 0 + 4060 522.88476 -3217.9192 0.020170911 1.5970319 0.29388643 548 555 5.9965398 0.17315271 0 0 4.0370436 14355.723 0 0 +Loop time of 0.0318875 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 6.0069324 0.17575 0 0 4.0370436 14355.723 0 0 - 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 6.0069324 0.1664 0 0 4.0370436 19342.466 0 0 -Loop time of 0.234847 on 4 procs for 1000 steps with 577 atoms + 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 5.9965398 0.17575 0 0 4.0370436 14355.723 0 0 + 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 5.9965398 0.1664 0 0 4.0370436 19342.466 0 0 +Loop time of 0.27626 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 6.0069324 0.1664 0 0 4.0370436 19342.466 0 0 - 5054 462.24647 -3217.9192 0.11575138 14.679837 0.26299192 130 132 6.0069324 0.16462208 0 0 4.0370436 19342.466 0 0 -Loop time of 0.026547 on 4 procs for 54 steps with 577 atoms + 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 5.9965398 0.1664 0 0 4.0370436 19342.466 0 0 + 5054 462.24647 -3217.9192 0.11575138 14.679837 0.26299192 130 132 5.9965398 0.16462208 0 0 4.0370436 19342.466 0 0 +Loop time of 0.028037 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 6.0069324 0.1664 0 0 4.0370436 19342.466 0 0 - 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 6.0069324 0.15583333 0 0 4.0370436 22854.021 0 0 -Loop time of 0.244725 on 4 procs for 1000 steps with 577 atoms + 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 5.9965398 0.1664 0 0 4.0370436 19342.466 0 0 + 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 5.9965398 0.15583333 0 0 4.0370436 22854.021 0 0 +Loop time of 0.349943 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 6.0069324 0.15583333 0 0 4.0370436 22854.021 0 0 - 6054 463.33022 -3217.9192 0.37378421 5855.6457 0.15072771 122 123 6.0069324 0.15444334 0 0 4.0370436 22854.021 0 0 -Loop time of 0.0267512 on 4 procs for 54 steps with 577 atoms + 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 5.9965398 0.15583333 0 0 4.0370436 22854.021 0 0 + 6054 463.33022 -3217.9192 0.37378421 5855.6457 0.15072771 122 123 5.9965398 0.15444334 0 0 4.0370436 22854.021 0 0 +Loop time of 0.045652 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 6.0069324 0.15583333 0 0 4.0370436 22854.021 0 0 - 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 6.0069324 0.14885714 0 0 4.1079381 27854.511 0 0 -Loop time of 0.229727 on 4 procs for 1000 steps with 577 atoms + 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 5.9965398 0.15583333 0 0 4.0370436 22854.021 0 0 + 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 5.9965398 0.14885714 0 0 4.1079381 27854.511 0 0 +Loop time of 0.325437 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 6.0069324 0.14885714 0 0 4.1079381 27854.511 0 0 - 7055 496.34089 -3217.9192 0.29031005 843.70994 0.19427864 547 552 6.0069324 0.14769667 0 0 4.1079381 27854.511 0 0 -Loop time of 0.0260235 on 4 procs for 55 steps with 577 atoms + 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 5.9965398 0.14885714 0 0 4.1079381 27854.511 0 0 + 7055 496.34089 -3217.9192 0.29031005 843.70994 0.19427864 547 552 5.9965398 0.14769667 0 0 4.1079381 27854.511 0 0 +Loop time of 0.0330945 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 6.0069324 0.14885714 0 0 4.1079381 27854.511 0 0 - 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 6.0069324 0.14075 0.00175 0 4.1079381 31930.231 0 0 -Loop time of 0.230083 on 4 procs for 1000 steps with 577 atoms + 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 5.9965398 0.14885714 0 0 4.1079381 27854.511 0 0 + 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 5.9965398 0.14075 0.00175 0 4.1079381 31930.231 0 0 +Loop time of 0.315618 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 6.0069324 0.14075 0.00175 0 4.1079381 31930.231 0 0 - 8056 468.63017 -3217.9192 0 1 0.31412476 275 556 6.0069324 0.1397716 0.0017378352 0 4.1079381 31930.231 0 0 -Loop time of 0.0261552 on 4 procs for 56 steps with 577 atoms + 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 5.9965398 0.14075 0.00175 0 4.1079381 31930.231 0 0 + 8056 468.63017 -3217.9192 0 1 0.31412476 275 556 5.9965398 0.1397716 0.0017378352 0 4.1079381 31930.231 0 0 +Loop time of 0.0316615 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 6.0069324 0.14075 0.00175 0 4.1079381 31930.231 0 0 - 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 6.0069324 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 -Loop time of 0.22948 on 4 procs for 1000 steps with 577 atoms + 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 5.9965398 0.14075 0.00175 0 4.1079381 31930.231 0 0 + 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 5.9965398 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 +Loop time of 0.297179 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 6.0069324 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 - 9051 467.53307 -3217.9192 0 1 0.3075376 543 544 6.0069324 0.14804994 0.0015467904 0 4.1079381 35292.432 0 0 -Loop time of 0.0240657 on 4 procs for 51 steps with 577 atoms + 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 5.9965398 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 + 9051 467.53307 -3217.9192 0 1 0.3075376 543 544 5.9965398 0.14804994 0.0015467904 0 4.1079381 35292.432 0 0 +Loop time of 0.0277896 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 6.0069324 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 - 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 6.0069324 0.1531 0.0014 0 4.1079381 40303.236 0 0 -Loop time of 0.237951 on 4 procs for 1000 steps with 577 atoms + 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 5.9965398 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 + 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 5.9965398 0.1531 0.0014 0 4.1079381 40303.236 0 0 +Loop time of 0.277951 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 6.0069324 0.1531 0.0014 0 4.1079381 40303.236 0 0 - 10061 496.73768 -3217.9192 0.11921512 15.908682 0.26180389 543 548 6.0069324 0.15217175 0.0013915118 0 4.1079381 40303.236 0 0 -Loop time of 0.0275102 on 4 procs for 61 steps with 577 atoms + 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 5.9965398 0.1531 0.0014 0 4.1079381 40303.236 0 0 + 10061 496.73768 -3217.9192 0.11921512 15.908682 0.26180389 543 548 5.9965398 0.15217175 0.0013915118 0 4.1079381 40303.236 0 0 +Loop time of 0.0319217 on 4 procs for 61 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 6.0069324 0.1531 0.0014 0 4.1079381 40303.236 0 0 - 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 6.0069324 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 -Loop time of 0.226262 on 4 procs for 1000 steps with 577 atoms + 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 5.9965398 0.1531 0.0014 0 4.1079381 40303.236 0 0 + 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 5.9965398 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 +Loop time of 0.275999 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 6.0069324 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 - 11058 526.76049 -3217.9192 0.24399827 287.99939 0.21466325 408 419 6.0069324 0.15861819 0.0012660517 0 4.1079381 42710.668 0 0 -Loop time of 0.0257103 on 4 procs for 58 steps with 577 atoms + 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 5.9965398 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 + 11058 526.76049 -3217.9192 0.24399827 287.99939 0.21466325 408 419 5.9965398 0.15861819 0.0012660517 0 4.1079381 42710.668 0 0 +Loop time of 0.0311032 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 6.0069324 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 - 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 6.0069324 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 -Loop time of 0.226415 on 4 procs for 1000 steps with 577 atoms + 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 5.9965398 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 + 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 5.9965398 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 +Loop time of 0.274665 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 6.0069324 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 - 12053 488.24107 -3217.9192 0.34073209 2719.0951 0.16931693 409 400 6.0069324 0.1548992 0.0011615365 0 4.1079381 47154.117 0 0 -Loop time of 0.0232868 on 4 procs for 53 steps with 577 atoms + 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 5.9965398 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 + 12053 488.24107 -3217.9192 0.34073209 2719.0951 0.16931693 409 400 5.9965398 0.1548992 0.0011615365 0 4.1079381 47154.117 0 0 +Loop time of 0.0280858 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 6.0069324 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 - 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 6.0069324 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 -Loop time of 0.234386 on 4 procs for 1000 steps with 577 atoms + 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 5.9965398 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 + 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 5.9965398 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 +Loop time of 0.28023 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 6.0069324 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 - 13055 467.87203 -3217.9192 0 1 0.32542353 275 556 6.0069324 0.14806588 0.0015319801 0 4.1079381 54700.864 0 0 -Loop time of 0.0268174 on 4 procs for 55 steps with 577 atoms + 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 5.9965398 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 + 13055 467.87203 -3217.9192 0 1 0.32542353 275 556 5.9965398 0.14806588 0.0015319801 0 4.1079381 54700.864 0 0 +Loop time of 0.028371 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 6.0069324 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 - 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 6.0069324 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 -Loop time of 0.236772 on 4 procs for 1000 steps with 577 atoms + 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 5.9965398 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 + 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 5.9965398 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 +Loop time of 0.388833 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 6.0069324 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 - 14059 494.97859 -3217.9192 0.061678009 4.1849114 0.2808878 544 555 6.0069324 0.16814852 0.0014225763 0 4.1079381 55284.212 0 0 -Loop time of 0.0262685 on 4 procs for 59 steps with 577 atoms + 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 5.9965398 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 + 14059 494.97859 -3217.9192 0.061678009 4.1849114 0.2808878 544 555 5.9965398 0.16814852 0.0014225763 0 4.1079381 55284.212 0 0 +Loop time of 0.049931 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 6.0069324 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 - 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 6.0069324 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 -Loop time of 0.228132 on 4 procs for 1000 steps with 577 atoms + 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 5.9965398 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 + 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 5.9965398 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 +Loop time of 0.335819 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 6.0069324 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 - 15056 487.47593 -3217.9192 0 1 0.30681413 124 135 6.0069324 0.16465197 0.0013283741 0 4.1079381 58845.637 0 0 -Loop time of 0.0253892 on 4 procs for 56 steps with 577 atoms + 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 5.9965398 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 + 15056 487.47593 -3217.9192 0 1 0.30681413 124 135 5.9965398 0.16465197 0.0013283741 0 4.1079381 58845.637 0 0 +Loop time of 0.0342811 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 6.0069324 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 - 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 6.0069324 0.160375 0.00125 0 4.1079381 65959.225 0 0 -Loop time of 0.226636 on 4 procs for 1000 steps with 577 atoms + 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 5.9965398 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 + 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 5.9965398 0.160375 0.00125 0 4.1079381 65959.225 0 0 +Loop time of 0.329229 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 6.0069324 0.160375 0.00125 0 4.1079381 65959.225 0 0 - 16057 514.29619 -3217.9192 0.15192442 33.988268 0.25030702 287 568 6.0069324 0.15980569 0.0012455627 0 4.1079381 65959.225 0 0 -Loop time of 0.0258105 on 4 procs for 57 steps with 577 atoms + 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 5.9965398 0.160375 0.00125 0 4.1079381 65959.225 0 0 + 16057 514.29619 -3217.9192 0.15192442 33.988268 0.25030702 287 568 5.9965398 0.15980569 0.0012455627 0 4.1079381 65959.225 0 0 +Loop time of 0.0350134 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 6.0069324 0.160375 0.00125 0 4.1079381 65959.225 0 0 - 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 6.0069324 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 -Loop time of 0.233751 on 4 procs for 1000 steps with 577 atoms + 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 5.9965398 0.160375 0.00125 0 4.1079381 65959.225 0 0 + 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 5.9965398 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 +Loop time of 0.306954 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 6.0069324 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 - 17052 518.58789 -3217.9192 0.1333678 22.094631 0.25689258 116 123 6.0069324 0.16039174 0.0011728829 0 4.1079381 70525.413 0 0 -Loop time of 0.0248473 on 4 procs for 52 steps with 577 atoms + 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 5.9965398 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 + 17052 518.58789 -3217.9192 0.1333678 22.094631 0.25689258 116 123 5.9965398 0.16039174 0.0011728829 0 4.1079381 70525.413 0 0 +Loop time of 0.0273 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 6.0069324 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 - 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 6.0069324 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 -Loop time of 0.240134 on 4 procs for 1000 steps with 577 atoms + 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 5.9965398 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 + 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 5.9965398 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 +Loop time of 0.280026 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 6.0069324 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 - 18056 505.83228 -3217.9192 0.08205079 6.7148239 0.27428244 552 563 6.0069324 0.15595924 0.001107665 0 4.1079381 73252.823 0 0 -Loop time of 0.0243995 on 4 procs for 56 steps with 577 atoms + 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 5.9965398 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 + 18056 505.83228 -3217.9192 0.08205079 6.7148239 0.27428244 552 563 5.9965398 0.15595924 0.001107665 0 4.1079381 73252.823 0 0 +Loop time of 0.0300361 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 6.0069324 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 - 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 6.0069324 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 -Loop time of 0.22821 on 4 procs for 1000 steps with 577 atoms + 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 5.9965398 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 + 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 5.9965398 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 +Loop time of 0.274299 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 6.0069324 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 - 19052 527.41862 -3217.9192 0.040305357 2.5483534 0.28765437 424 263 6.0069324 0.15546924 0.0010497586 0 4.1079381 75984.28 0 0 -Loop time of 0.0237539 on 4 procs for 52 steps with 577 atoms + 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 5.9965398 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 + 19052 527.41862 -3217.9192 0.040305357 2.5483534 0.28765437 424 263 5.9965398 0.15546924 0.0010497586 0 4.1079381 75984.28 0 0 +Loop time of 0.0271357 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 6.0069324 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 - 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 6.0069324 0.15125 0.001 0 4.1079381 81688.471 0 0 -Loop time of 0.226179 on 4 procs for 1000 steps with 577 atoms + 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 5.9965398 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 + 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 5.9965398 0.15125 0.001 0 4.1079381 81688.471 0 0 +Loop time of 0.275093 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 6.0069324 0.15125 0.001 0 4.1079381 81688.471 0 0 - 20053 451.64207 -3217.9192 0.047092391 2.9831142 0.28552298 570 403 6.0069324 0.15085025 0.000997357 0 4.1079381 81688.471 0 0 -Loop time of 0.0244102 on 4 procs for 53 steps with 577 atoms + 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 5.9965398 0.15125 0.001 0 4.1079381 81688.471 0 0 + 20053 451.64207 -3217.9192 0.047092391 2.9831142 0.28552298 570 403 5.9965398 0.15085025 0.000997357 0 4.1079381 81688.471 0 0 +Loop time of 0.0279682 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 6.0069324 0.15125 0.001 0 4.1079381 81688.471 0 0 - 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 6.0069324 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 -Loop time of 0.234504 on 4 procs for 1000 steps with 577 atoms + 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 5.9965398 0.15125 0.001 0 4.1079381 81688.471 0 0 + 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 5.9965398 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 +Loop time of 0.274319 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 6.0069324 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 - 21050 469.69339 -3217.9192 0 1 0.3308786 267 268 6.0069324 0.14817102 0.00095011876 0 4.1079381 87660.496 0 0 -Loop time of 0.0231035 on 4 procs for 50 steps with 577 atoms + 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 5.9965398 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 + 21050 469.69339 -3217.9192 0 1 0.3308786 267 268 5.9965398 0.14817102 0.00095011876 0 4.1079381 87660.496 0 0 +Loop time of 0.0260295 on 4 procs for 50 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 6.0069324 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 - 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 6.0069324 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 -Loop time of 0.235723 on 4 procs for 1000 steps with 577 atoms + 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 5.9965398 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 + 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 5.9965398 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 +Loop time of 0.274912 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 6.0069324 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 - 22054 473.26326 -3217.9192 0 1 0.31249141 544 555 6.0069324 0.14750159 0.00090686497 0 4.1079381 91920.285 0 0 -Loop time of 0.024776 on 4 procs for 54 steps with 577 atoms + 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 5.9965398 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 + 22054 473.26326 -3217.9192 0 1 0.31249141 544 555 5.9965398 0.14750159 0.00090686497 0 4.1079381 91920.285 0 0 +Loop time of 0.0287687 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 6.0069324 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 - 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 6.0069324 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 -Loop time of 0.229916 on 4 procs for 1000 steps with 577 atoms + 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 5.9965398 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 + 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 5.9965398 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 +Loop time of 0.316591 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 6.0069324 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 - 23056 496.07543 -3217.9192 0.30577111 1207.9075 0.18697914 572 403 6.0069324 0.15627169 0.0011276891 0 4.1079381 92558.536 0 0 -Loop time of 0.0252325 on 4 procs for 56 steps with 577 atoms + 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 5.9965398 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 + 23056 496.07543 -3217.9192 0.30577111 1207.9075 0.18697914 572 403 5.9965398 0.15627169 0.0011276891 0 4.1079381 92558.536 0 0 +Loop time of 0.0309402 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 6.0069324 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 - 24000 465.43821 -3199.468 0 1 0.31415739 543 544 6.0069324 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 -Loop time of 0.231022 on 4 procs for 1000 steps with 577 atoms + 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 5.9965398 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 + 24000 465.43821 -3199.468 0 1 0.31415739 543 544 5.9965398 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 +Loop time of 0.281169 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 24000 465.43821 -3199.468 0 1 0.31415739 543 544 6.0069324 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 - 24054 465.43821 -3217.9192 0 1 0.31415739 543 544 6.0069324 0.15431945 0.0010809013 0 4.1079381 97530.178 0 0 -Loop time of 0.0246248 on 4 procs for 54 steps with 577 atoms + 24000 465.43821 -3199.468 0 1 0.31415739 543 544 5.9965398 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 + 24054 465.43821 -3217.9192 0 1 0.31415739 543 544 5.9965398 0.15431945 0.0010809013 0 4.1079381 97530.178 0 0 +Loop time of 0.0290642 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 24000 465.43821 -3199.468 0 1 0.31415739 543 544 6.0069324 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 - 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 6.0069324 0.15368 0.00104 0 4.1079381 103216.01 0 0 -Loop time of 0.239562 on 4 procs for 1000 steps with 577 atoms + 24000 465.43821 -3199.468 0 1 0.31415739 543 544 5.9965398 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 + 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 5.9965398 0.15368 0.00104 0 4.1079381 103216.01 0 0 +Loop time of 0.27509 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 6.0069324 0.15368 0.00104 0 4.1079381 103216.01 0 0 - 25060 489.80528 -3217.9192 0.25812453 399.74019 0.20865662 543 544 6.0069324 0.15331205 0.00103751 0 4.1079381 103216.01 0 0 -Loop time of 0.0290521 on 4 procs for 60 steps with 577 atoms + 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 5.9965398 0.15368 0.00104 0 4.1079381 103216.01 0 0 + 25060 489.80528 -3217.9192 0.25812453 399.74019 0.20865662 543 544 5.9965398 0.15331205 0.00103751 0 4.1079381 103216.01 0 0 +Loop time of 0.0317346 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 6.0069324 0.15368 0.00104 0 4.1079381 103216.01 0 0 - 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 6.0069324 0.15788462 0.001 0 4.1079381 106857.47 0 0 -Loop time of 0.231679 on 4 procs for 1000 steps with 577 atoms + 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 5.9965398 0.15368 0.00104 0 4.1079381 103216.01 0 0 + 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 5.9965398 0.15788462 0.001 0 4.1079381 106857.47 0 0 +Loop time of 0.27335 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 6.0069324 0.15788462 0.001 0 4.1079381 106857.47 0 0 - 26053 454.33199 -3217.9192 0.15449017 36.073692 0.24938278 283 272 6.0069324 0.15756343 0.00099796569 0 4.1079381 106857.47 0 0 -Loop time of 0.0229361 on 4 procs for 53 steps with 577 atoms + 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 5.9965398 0.15788462 0.001 0 4.1079381 106857.47 0 0 + 26053 454.33199 -3217.9192 0.15449017 36.073692 0.24938278 283 272 5.9965398 0.15756343 0.00099796569 0 4.1079381 106857.47 0 0 +Loop time of 0.0280918 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 6.0069324 0.15788462 0.001 0 4.1079381 106857.47 0 0 - 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 6.0069324 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 -Loop time of 0.228356 on 4 procs for 1000 steps with 577 atoms + 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 5.9965398 0.15788462 0.001 0 4.1079381 106857.47 0 0 + 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 5.9965398 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 +Loop time of 0.275087 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 6.0069324 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 - 27056 493.26662 -3217.9192 0.17523126 58.378293 0.24178166 260 271 6.0069324 0.15357037 0.00096096984 0 4.1079381 114287.4 0 0 -Loop time of 0.0249045 on 4 procs for 56 steps with 577 atoms + 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 5.9965398 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 + 27056 493.26662 -3217.9192 0.17523126 58.378293 0.24178166 260 271 5.9965398 0.15357037 0.00096096984 0 4.1079381 114287.4 0 0 +Loop time of 0.0291138 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 6.0069324 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 - 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 6.0069324 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 -Loop time of 0.226666 on 4 procs for 1000 steps with 577 atoms + 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 5.9965398 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 + 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 5.9965398 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 +Loop time of 0.275233 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 6.0069324 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 - 28054 516.59709 -3217.9192 0.017083929 1.486614 0.29483028 543 548 6.0069324 0.15249162 0.00092678406 0 4.1079381 117735.24 0 0 -Loop time of 0.0245788 on 4 procs for 54 steps with 577 atoms + 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 5.9965398 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 + 28054 516.59709 -3217.9192 0.017083929 1.486614 0.29483028 543 548 5.9965398 0.15249162 0.00092678406 0 4.1079381 117735.24 0 0 +Loop time of 0.0280442 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 6.0069324 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 - 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 6.0069324 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 -Loop time of 0.239195 on 4 procs for 1000 steps with 577 atoms + 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 5.9965398 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 + 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 5.9965398 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 +Loop time of 0.276333 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 6.0069324 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 - 29059 498.78313 -3217.9192 0 1 0.43523955 543 544 6.0069324 0.15616504 0.00089473141 0 4.3557073 122569.32 0 0 -Loop time of 0.0290976 on 4 procs for 59 steps with 577 atoms + 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 5.9965398 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 + 29059 498.78313 -3217.9192 0 1 0.43523955 543 544 5.9965398 0.15616504 0.00089473141 0 4.3557073 122569.32 0 0 +Loop time of 0.0308874 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 6.0069324 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 - 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 6.0069324 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 -Loop time of 0.232616 on 4 procs for 1000 steps with 577 atoms + 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 5.9965398 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 + 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 5.9965398 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 +Loop time of 0.276663 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 6.0069324 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 - 30059 466.86137 -3217.9192 0.23621441 240.39961 0.21790229 126 127 6.0069324 0.15725739 0.00086496557 0 4.3557073 127229.34 0 0 -Loop time of 0.0269623 on 4 procs for 59 steps with 577 atoms + 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 5.9965398 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 + 30059 466.86137 -3217.9192 0.23621441 240.39961 0.21790229 126 127 5.9965398 0.15725739 0.00086496557 0 4.3557073 127229.34 0 0 +Loop time of 0.0316901 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 6.0069324 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 - 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 6.0069324 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 -Loop time of 0.229214 on 4 procs for 1000 steps with 577 atoms + 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 5.9965398 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 + 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 5.9965398 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 +Loop time of 0.284434 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 6.0069324 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 - 31053 471.12992 -3217.9192 0 1 0.30984418 567 572 6.0069324 0.15515409 0.00086948121 0 4.3557073 131258.9 0 0 -Loop time of 0.0240388 on 4 procs for 53 steps with 577 atoms + 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 5.9965398 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 + 31053 471.12992 -3217.9192 0 1 0.30984418 567 572 5.9965398 0.15515409 0.00086948121 0 4.3557073 131258.9 0 0 +Loop time of 0.0288937 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 6.0069324 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 - 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 6.0069324 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 -Loop time of 0.230157 on 4 procs for 1000 steps with 577 atoms + 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 5.9965398 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 + 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 5.9965398 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 +Loop time of 0.28104 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 6.0069324 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 - 32057 510.4372 -3217.9192 0.38770138 8088.2308 0.14217507 511 546 6.0069324 0.1530087 0.00084224974 0 4.3557073 136077.46 0 0 -Loop time of 0.0259738 on 4 procs for 57 steps with 577 atoms + 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 5.9965398 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 + 32057 510.4372 -3217.9192 0.38770138 8088.2308 0.14217507 511 546 5.9965398 0.1530087 0.00084224974 0 4.3557073 136077.46 0 0 +Loop time of 0.0306076 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 6.0069324 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 - 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 6.0069324 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 -Loop time of 0.240719 on 4 procs for 1000 steps with 577 atoms + 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 5.9965398 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 + 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 5.9965398 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 +Loop time of 0.283846 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 6.0069324 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 - 33055 517.9664 -3217.9192 0.065094278 4.5302347 0.27979105 136 255 6.0069324 0.1518681 0.00081682045 0 4.3557073 140653.16 0 0 -Loop time of 0.0254009 on 4 procs for 55 steps with 577 atoms + 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 5.9965398 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 + 33055 517.9664 -3217.9192 0.065094278 4.5302347 0.27979105 136 255 5.9965398 0.1518681 0.00081682045 0 4.3557073 140653.16 0 0 +Loop time of 0.0292696 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 6.0069324 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 - 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 6.0069324 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 -Loop time of 0.228472 on 4 procs for 1000 steps with 577 atoms + 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 5.9965398 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 + 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 5.9965398 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 +Loop time of 0.289097 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 6.0069324 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 - 34053 539.21923 -3217.9192 0.10137745 10.515709 0.26786575 119 400 6.0069324 0.15064752 0.00079288168 0 4.3557073 146106.36 0 0 -Loop time of 0.0239374 on 4 procs for 53 steps with 577 atoms + 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 5.9965398 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 + 34053 539.21923 -3217.9192 0.10137745 10.515709 0.26786575 119 400 5.9965398 0.15064752 0.00079288168 0 4.3557073 146106.36 0 0 +Loop time of 0.0301806 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 6.0069324 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 - 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 6.0069324 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 -Loop time of 0.227014 on 4 procs for 1000 steps with 577 atoms + 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 5.9965398 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 + 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 5.9965398 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 +Loop time of 0.353728 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 6.0069324 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 - 35061 495.28481 -3217.9192 0.03728079 2.3756005 0.28859913 543 544 6.0069324 0.14856964 0.00077008642 0 4.3557073 152132.21 0 0 -Loop time of 0.0271087 on 4 procs for 61 steps with 577 atoms + 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 5.9965398 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 + 35061 495.28481 -3217.9192 0.03728079 2.3756005 0.28859913 543 544 5.9965398 0.14856964 0.00077008642 0 4.3557073 152132.21 0 0 +Loop time of 0.0376461 on 4 procs for 61 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 6.0069324 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 - 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 6.0069324 0.14975 0.00075 0 4.3557073 155779.35 0 0 -Loop time of 0.230395 on 4 procs for 1000 steps with 577 atoms + 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 5.9965398 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 + 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 5.9965398 0.14975 0.00075 0 4.3557073 155779.35 0 0 +Loop time of 0.280524 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 6.0069324 0.14975 0.00075 0 4.3557073 155779.35 0 0 - 36058 522.02047 -3217.9192 0.023049198 1.7073613 0.29300366 132 139 6.0069324 0.14950912 0.00074879361 0 4.3557073 155779.35 0 0 -Loop time of 0.0274341 on 4 procs for 58 steps with 577 atoms + 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 5.9965398 0.14975 0.00075 0 4.3557073 155779.35 0 0 + 36058 522.02047 -3217.9192 0.023049198 1.7073613 0.29300366 132 139 5.9965398 0.14950912 0.00074879361 0 4.3557073 155779.35 0 0 +Loop time of 0.0309134 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 6.0069324 0.14975 0.00075 0 4.3557073 155779.35 0 0 - 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 6.0069324 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 -Loop time of 0.239665 on 4 procs for 1000 steps with 577 atoms + 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 5.9965398 0.14975 0.00075 0 4.3557073 155779.35 0 0 + 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 5.9965398 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 +Loop time of 0.269231 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 6.0069324 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 - 37055 493.66881 -3217.9192 0.29065621 850.51576 0.19411822 110 121 6.0069324 0.14761841 0.00072864661 0 4.3557073 159446.9 0 0 -Loop time of 0.0258739 on 4 procs for 55 steps with 577 atoms + 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 5.9965398 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 + 37055 493.66881 -3217.9192 0.29065621 850.51576 0.19411822 110 121 5.9965398 0.14761841 0.00072864661 0 4.3557073 159446.9 0 0 +Loop time of 0.0280798 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 6.0069324 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 - 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 6.0069324 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 -Loop time of 0.231827 on 4 procs for 1000 steps with 577 atoms + 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 5.9965398 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 + 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 5.9965398 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 +Loop time of 0.272717 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 6.0069324 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 - 38050 471.56021 -3217.9192 0.21390468 143.23918 0.22692985 546 559 6.0069324 0.15030223 0.00070959264 0 4.3557073 161793.64 0 0 -Loop time of 0.0234141 on 4 procs for 50 steps with 577 atoms + 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 5.9965398 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 + 38050 471.56021 -3217.9192 0.21390468 143.23918 0.22692985 546 559 5.9965398 0.15030223 0.00070959264 0 4.3557073 161793.64 0 0 +Loop time of 0.0257647 on 4 procs for 50 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 6.0069324 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 - 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 6.0069324 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 -Loop time of 0.227483 on 4 procs for 1000 steps with 577 atoms + 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 5.9965398 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 + 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 5.9965398 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 +Loop time of 0.269089 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 6.0069324 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 - 39062 488.60708 -3217.9192 0.29546108 950.85261 0.19187758 410 412 6.0069324 0.1486099 0.00069120885 0 4.3557073 167145.63 0 0 -Loop time of 0.028059 on 4 procs for 62 steps with 577 atoms + 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 5.9965398 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 + 39062 488.60708 -3217.9192 0.29546108 950.85261 0.19187758 410 412 5.9965398 0.1486099 0.00069120885 0 4.3557073 167145.63 0 0 +Loop time of 0.031392 on 4 procs for 62 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 6.0069324 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 - 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 6.0069324 0.15095 0.000675 0 4.3557073 171194.28 0 0 -Loop time of 0.231293 on 4 procs for 1000 steps with 577 atoms + 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 5.9965398 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 + 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 5.9965398 0.15095 0.000675 0 4.3557073 171194.28 0 0 +Loop time of 0.272165 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 6.0069324 0.15095 0.000675 0 4.3557073 171194.28 0 0 - 40064 507.73002 -3217.9192 0.012490865 1.3362947 0.29622904 543 544 6.0069324 0.15070887 0.00067392173 0 4.3557073 171194.28 0 0 -Loop time of 0.0308156 on 4 procs for 64 steps with 577 atoms + 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 5.9965398 0.15095 0.000675 0 4.3557073 171194.28 0 0 + 40064 507.73002 -3217.9192 0.012490865 1.3362947 0.29622904 543 544 5.9965398 0.15070887 0.00067392173 0 4.3557073 171194.28 0 0 +Loop time of 0.0340878 on 4 procs for 64 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 6.0069324 0.15095 0.000675 0 4.3557073 171194.28 0 0 - 41000 479.11448 -3200.241 0 1 0.94094448 542 544 6.0069324 0.16480488 0.00065853659 0 5.4178316 171224.32 0 0 -Loop time of 0.239781 on 4 procs for 1000 steps with 577 atoms + 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 5.9965398 0.15095 0.000675 0 4.3557073 171194.28 0 0 + 41000 479.11448 -3200.241 0 1 0.94094448 542 544 5.9965398 0.16480488 0.00065853659 0 5.4178316 171224.32 0 0 +Loop time of 0.276958 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 41000 479.11448 -3200.241 0 1 0.94094448 542 544 6.0069324 0.16480488 0.00065853659 0 5.4178316 171224.32 0 0 - 41055 479.11448 -3217.9192 0 1 0.94094448 542 544 6.0069324 0.16458409 0.00065765437 0 5.4178316 171224.32 0 0 -Loop time of 0.0248787 on 4 procs for 55 steps with 577 atoms + 41000 479.11448 -3200.241 0 1 0.94094448 542 544 5.9965398 0.16480488 0.00065853659 0 5.4178316 171224.32 0 0 + 41055 479.11448 -3217.9192 0 1 0.94094448 542 544 5.9965398 0.16458409 0.00065765437 0 5.4178316 171224.32 0 0 +Loop time of 0.0284102 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 41000 479.11448 -3200.241 0.31626598 1541.0515 0.18185743 398 404 6.0069324 0.16480488 0.00065853659 2.3326665 5.4178316 171224.32 1 2 - 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 6.0069324 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 -Loop time of 0.226913 on 4 procs for 1000 steps with 577 atoms + 41000 479.11448 -3200.241 0.31626598 1541.0515 0.18185743 398 404 5.9965398 0.16480488 0.00065853659 2.3326665 5.4178316 171224.32 1 2 + 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 5.9965398 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 +Loop time of 0.271138 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 6.0069324 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 - 42056 495.84675 -3217.9192 0.1729929 55.422961 0.24261343 275 264 6.0069324 0.16901274 0.0011175575 2.3326665 5.4178316 174484.67 1 2 -Loop time of 0.0239749 on 4 procs for 56 steps with 577 atoms + 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 5.9965398 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 + 42056 495.84675 -3217.9192 0.1729929 55.422961 0.24261343 275 264 5.9965398 0.16901274 0.0011175575 2.3326665 5.4178316 174484.67 1 2 +Loop time of 0.02821 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 6.0069324 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 - 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 6.0069324 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 -Loop time of 0.224798 on 4 procs for 1000 steps with 577 atoms + 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 5.9965398 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 + 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 5.9965398 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 +Loop time of 0.271924 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 6.0069324 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 - 43054 533.30453 -3217.9192 0 1 0.34377427 263 577 6.0069324 0.17624379 0.0010916523 2.3326665 5.4178316 175038.14 1 2 -Loop time of 0.0243425 on 4 procs for 54 steps with 577 atoms + 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 5.9965398 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 + 43054 533.30453 -3217.9192 0 1 0.34377427 263 577 5.9965398 0.17624379 0.0010916523 2.3326665 5.4178316 175038.14 1 2 +Loop time of 0.028114 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 6.0069324 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 - 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 6.0069324 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 -Loop time of 0.23413 on 4 procs for 1000 steps with 577 atoms + 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 5.9965398 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 + 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 5.9965398 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 +Loop time of 0.278251 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 6.0069324 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 - 44056 497.19886 -3217.9192 0 1 0.32411085 262 264 6.0069324 0.17924914 0.001066824 2.3326665 5.4178316 175732.69 1 2 -Loop time of 0.0264681 on 4 procs for 56 steps with 577 atoms + 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 5.9965398 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 + 44056 497.19886 -3217.9192 0 1 0.32411085 262 264 5.9965398 0.17924914 0.001066824 2.3326665 5.4178316 175732.69 1 2 +Loop time of 0.031158 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 6.0069324 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 - 45000 501.66497 -3198.3133 0 1 0.89133337 262 264 6.0069324 0.18806667 0.0010444444 2.3326665 5.4178316 175885.32 1 2 -Loop time of 0.233324 on 4 procs for 1000 steps with 577 atoms + 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 5.9965398 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 + 45000 501.66497 -3198.3133 0 1 0.89133337 262 264 5.9965398 0.18806667 0.0010444444 2.3326665 5.4178316 175885.32 1 2 +Loop time of 0.272196 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 45000 501.66497 -3198.3133 0 1 0.89133337 262 264 6.0069324 0.18806667 0.0010444444 2.3326665 5.4178316 175885.32 1 2 - 45053 501.66497 -3217.9192 0 1 0.89133337 262 264 6.0069324 0.18784543 0.0010432158 2.3326665 5.4178316 175885.32 1 2 -Loop time of 0.0239007 on 4 procs for 53 steps with 577 atoms + 45000 501.66497 -3198.3133 0 1 0.89133337 262 264 5.9965398 0.18806667 0.0010444444 2.3326665 5.4178316 175885.32 1 2 + 45053 501.66497 -3217.9192 0 1 0.89133337 262 264 5.9965398 0.18784543 0.0010432158 2.3326665 5.4178316 175885.32 1 2 +Loop time of 0.0270572 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 45000 501.66497 -3198.3133 0.31380779 1455.5922 0.18306993 549 547 6.0069324 0.18806667 0.0010444444 2.332667 5.4178316 175885.32 2 4 - 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 6.0069324 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 -Loop time of 0.227399 on 4 procs for 1000 steps with 577 atoms + 45000 501.66497 -3198.3133 0.31380779 1455.5922 0.18306993 549 547 5.9965398 0.18806667 0.0010444444 2.332667 5.4178316 175885.32 2 4 + 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 5.9965398 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 +Loop time of 0.270344 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 6.0069324 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 - 46058 512.99827 -3217.9192 0.30973921 1324.4339 0.18505929 547 552 6.0069324 0.18522298 0.0010204525 2.332667 5.4178316 180703.66 2 4 -Loop time of 0.025696 on 4 procs for 58 steps with 577 atoms + 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 5.9965398 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 + 46058 512.99827 -3217.9192 0.30973921 1324.4339 0.18505929 547 552 5.9965398 0.18522298 0.0010204525 2.332667 5.4178316 180703.66 2 4 +Loop time of 0.0301486 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 6.0069324 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 - 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 6.0069324 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 -Loop time of 0.232521 on 4 procs for 1000 steps with 577 atoms + 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 5.9965398 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 + 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 5.9965398 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 +Loop time of 0.272036 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 6.0069324 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 - 47062 508.06284 -3217.9192 0.17828926 62.67216 0.24064067 271 544 6.0069324 0.18380009 0.00099868259 2.332667 5.4178316 186245.92 2 4 -Loop time of 0.0288792 on 4 procs for 62 steps with 577 atoms + 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 5.9965398 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 + 47062 508.06284 -3217.9192 0.17828926 62.67216 0.24064067 271 544 5.9965398 0.18380009 0.00099868259 2.332667 5.4178316 186245.92 2 4 +Loop time of 0.0319475 on 4 procs for 62 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 6.0069324 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 - 48000 512.83356 -3200.0643 0 1 0.96810224 258 544 6.0069324 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 2 4 -Loop time of 0.241704 on 4 procs for 1000 steps with 577 atoms + 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 5.9965398 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 + 48000 512.83356 -3200.0643 0 1 0.96810224 258 544 5.9965398 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 2 4 +Loop time of 0.271987 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 48000 512.83356 -3200.0643 0 1 0.96810224 258 544 6.0069324 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 2 4 - 48051 512.83356 -3217.9192 0 1 0.96810224 258 544 6.0069324 0.19198352 0.00097812741 2.332667 5.5485401 188226.87 2 4 -Loop time of 0.0259903 on 4 procs for 51 steps with 577 atoms + 48000 512.83356 -3200.0643 0 1 0.96810224 258 544 5.9965398 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 2 4 + 48051 512.83356 -3217.9192 0 1 0.96810224 258 544 5.9965398 0.19198352 0.00097812741 2.332667 5.5485401 188226.87 2 4 +Loop time of 0.0269855 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 48000 512.83356 -3200.0643 0.36239559 4495.5483 0.15738105 280 407 6.0069324 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 3 6 - 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 6.0069324 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 -Loop time of 0.22826 on 4 procs for 1000 steps with 577 atoms + 48000 512.83356 -3200.0643 0.36239559 4495.5483 0.15738105 280 407 5.9965398 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 3 6 + 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 5.9965398 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 +Loop time of 0.267575 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 6.0069324 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 - 49054 490.9639 -3217.9192 0.21113624 134.32512 0.22802517 114 115 6.0069324 0.18972969 0.00095812778 2.332667 5.5485401 191519.1 3 6 -Loop time of 0.024157 on 4 procs for 54 steps with 577 atoms + 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 5.9965398 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 + 49054 490.9639 -3217.9192 0.21113624 134.32512 0.22802517 114 115 5.9965398 0.18972969 0.00095812778 2.332667 5.5485401 191519.1 3 6 +Loop time of 0.027882 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 6.0069324 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 - 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 6.0069324 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 -Loop time of 0.226578 on 4 procs for 1000 steps with 577 atoms + 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 5.9965398 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 + 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 5.9965398 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 +Loop time of 0.270223 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 6.0069324 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 - 50059 502.62206 -3217.9192 0.22799901 198.66723 0.22126947 119 400 6.0069324 0.18827783 0.00093889211 2.332667 5.5485401 195910.67 3 6 -Loop time of 0.0268276 on 4 procs for 59 steps with 577 atoms + 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 5.9965398 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 + 50059 502.62206 -3217.9192 0.22799901 198.66723 0.22126947 119 400 5.9965398 0.18827783 0.00093889211 2.332667 5.5485401 195910.67 3 6 +Loop time of 0.0310777 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 6.0069324 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 - 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 6.0069324 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 -Loop time of 0.23022 on 4 procs for 1000 steps with 577 atoms + 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 5.9965398 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 + 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 5.9965398 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 +Loop time of 0.271223 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 6.0069324 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 - 51055 508.29336 -3217.9192 0.14109933 26.437299 0.25416947 264 275 6.0069324 0.18887474 0.00092057585 2.332667 5.5485401 199067.94 3 6 -Loop time of 0.0267057 on 4 procs for 55 steps with 577 atoms + 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 5.9965398 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 + 51055 508.29336 -3217.9192 0.14109933 26.437299 0.25416947 264 275 5.9965398 0.18887474 0.00092057585 2.332667 5.5485401 199067.94 3 6 +Loop time of 0.0279394 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 6.0069324 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 - 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 6.0069324 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 -Loop time of 0.248939 on 4 procs for 1000 steps with 577 atoms + 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 5.9965398 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 + 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 5.9965398 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 +Loop time of 0.269166 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 6.0069324 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 - 52061 506.84322 -3217.9192 0 1 0.35895473 264 275 6.0069324 0.19346536 0.00090278712 2.332667 5.5485401 199119.85 3 6 -Loop time of 0.0283017 on 4 procs for 61 steps with 577 atoms + 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 5.9965398 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 + 52061 506.84322 -3217.9192 0 1 0.35895473 264 275 5.9965398 0.19346536 0.00090278712 2.332667 5.5485401 199119.85 3 6 +Loop time of 0.0310147 on 4 procs for 61 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 6.0069324 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 - 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 6.0069324 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 -Loop time of 0.226147 on 4 procs for 1000 steps with 577 atoms + 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 5.9965398 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 + 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 5.9965398 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 +Loop time of 0.270989 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 6.0069324 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 - 53056 477.74415 -3217.9192 0 1 0.31797782 264 275 6.0069324 0.19584967 0.00088585645 2.332667 5.5485401 200597.61 3 6 -Loop time of 0.0249364 on 4 procs for 56 steps with 577 atoms + 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 5.9965398 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 + 53056 477.74415 -3217.9192 0 1 0.31797782 264 275 5.9965398 0.19584967 0.00088585645 2.332667 5.5485401 200597.61 3 6 +Loop time of 0.02994 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 6.0069324 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 - 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 6.0069324 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 -Loop time of 0.242983 on 4 procs for 1000 steps with 577 atoms + 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 5.9965398 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 + 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 5.9965398 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 +Loop time of 0.273062 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 6.0069324 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 - 54051 467.64603 -3217.9192 0.12868765 19.820426 0.25852702 575 280 6.0069324 0.19596307 0.00086954913 2.332667 5.5485401 203111.2 3 6 -Loop time of 0.0256515 on 4 procs for 51 steps with 577 atoms + 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 5.9965398 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 + 54051 467.64603 -3217.9192 0.12868765 19.820426 0.25852702 575 280 5.9965398 0.19596307 0.00086954913 2.332667 5.5485401 203111.2 3 6 +Loop time of 0.0263515 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 6.0069324 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 - 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 6.0069324 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 -Loop time of 0.243744 on 4 procs for 1000 steps with 577 atoms + 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 5.9965398 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 + 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 5.9965398 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 +Loop time of 0.27205 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 6.0069324 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 - 55057 504.56378 -3217.9192 0.01979034 1.582988 0.29400296 556 567 6.0069324 0.19319977 0.00085366075 2.332667 5.5485401 209967.08 3 6 -Loop time of 0.0273646 on 4 procs for 57 steps with 577 atoms + 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 5.9965398 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 + 55057 504.56378 -3217.9192 0.01979034 1.582988 0.29400296 556 567 5.9965398 0.19319977 0.00085366075 2.332667 5.5485401 209967.08 3 6 +Loop time of 0.0298902 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 6.0069324 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 - 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 6.0069324 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 -Loop time of 0.238614 on 4 procs for 1000 steps with 577 atoms + 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 5.9965398 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 + 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 5.9965398 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 +Loop time of 0.270962 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 6.0069324 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 - 56052 564.45428 -3217.9192 0.20223936 109.26492 0.23151007 78 91 6.0069324 0.19228573 0.0008385071 2.332667 5.5485401 215831.27 3 6 -Loop time of 0.0241504 on 4 procs for 52 steps with 577 atoms + 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 5.9965398 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 + 56052 564.45428 -3217.9192 0.20223936 109.26492 0.23151007 78 91 5.9965398 0.19228573 0.0008385071 2.332667 5.5485401 215831.27 3 6 +Loop time of 0.0278887 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 6.0069324 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 - 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 6.0069324 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 -Loop time of 0.30046 on 4 procs for 1000 steps with 577 atoms + 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 5.9965398 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 + 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 5.9965398 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 +Loop time of 0.276217 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 6.0069324 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 - 57059 515.72168 -3217.9192 0.31159686 1382.7848 0.18415364 544 577 6.0069324 0.19190662 0.00082370879 2.332667 5.5485401 222695.11 3 6 -Loop time of 0.0361512 on 4 procs for 59 steps with 577 atoms + 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 5.9965398 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 + 57059 515.72168 -3217.9192 0.31159686 1382.7848 0.18415364 544 577 5.9965398 0.19190662 0.00082370879 2.332667 5.5485401 222695.11 3 6 +Loop time of 0.0303024 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 6.0069324 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 - 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 6.0069324 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 -Loop time of 0.304723 on 4 procs for 1000 steps with 577 atoms + 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 5.9965398 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 + 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 5.9965398 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 +Loop time of 0.272211 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 6.0069324 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 - 58055 493.40021 -3217.9192 0 1 0.30931038 275 577 6.0069324 0.18971665 0.00080957713 2.332667 5.5485401 225894.02 3 6 -Loop time of 0.034838 on 4 procs for 55 steps with 577 atoms + 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 5.9965398 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 + 58055 493.40021 -3217.9192 0 1 0.30931038 275 577 5.9965398 0.18971665 0.00080957713 2.332667 5.5485401 225894.02 3 6 +Loop time of 0.029048 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 6.0069324 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 - 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 6.0069324 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 -Loop time of 0.267864 on 4 procs for 1000 steps with 577 atoms + 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 5.9965398 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 + 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 5.9965398 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 +Loop time of 0.274027 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 6.0069324 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 - 59052 459.13337 -3217.9192 0.32299123 1801.3772 0.17849812 117 288 6.0069324 0.18883357 0.00079590869 2.332667 5.5485401 232785.62 3 6 -Loop time of 0.0229472 on 4 procs for 52 steps with 577 atoms + 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 5.9965398 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 + 59052 459.13337 -3217.9192 0.32299123 1801.3772 0.17849812 117 288 5.9965398 0.18883357 0.00079590869 2.332667 5.5485401 232785.62 3 6 +Loop time of 0.0262677 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 6.0069324 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 - 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 6.0069324 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 -Loop time of 0.224423 on 4 procs for 1000 steps with 577 atoms + 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 5.9965398 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 + 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 5.9965398 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 +Loop time of 0.277467 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 6.0069324 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 - 60051 491.26878 -3217.9192 0.28012983 666.16416 0.19893876 560 567 6.0069324 0.1866247 0.00078266807 2.332667 5.5485401 236949.88 3 6 -Loop time of 0.0231369 on 4 procs for 51 steps with 577 atoms + 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 5.9965398 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 + 60051 491.26878 -3217.9192 0.28012983 666.16416 0.19893876 560 567 5.9965398 0.1866247 0.00078266807 2.332667 5.5485401 236949.88 3 6 +Loop time of 0.0262483 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 6.0069324 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 - 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 6.0069324 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 -Loop time of 0.228656 on 4 procs for 1000 steps with 577 atoms + 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 5.9965398 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 + 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 5.9965398 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 +Loop time of 0.273261 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 6.0069324 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 - 61053 469.65564 -3217.9192 0.086199081 7.3934564 0.27291787 562 564 6.0069324 0.18429889 0.00076982294 2.332667 5.5485401 245720.88 3 6 -Loop time of 0.0245876 on 4 procs for 53 steps with 577 atoms + 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 5.9965398 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 + 61053 469.65564 -3217.9192 0.086199081 7.3934564 0.27291787 562 564 5.9965398 0.18429889 0.00076982294 2.332667 5.5485401 245720.88 3 6 +Loop time of 0.0271676 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 6.0069324 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 - 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 6.0069324 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 -Loop time of 0.232165 on 4 procs for 1000 steps with 577 atoms + 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 5.9965398 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 + 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 5.9965398 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 +Loop time of 0.274032 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 6.0069324 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 - 62056 520.14843 -3217.9192 0.35275062 3593.8982 0.16280322 116 123 6.0069324 0.18296377 0.00075738043 2.332667 5.5485401 250136.37 3 6 -Loop time of 0.0275648 on 4 procs for 56 steps with 577 atoms + 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 5.9965398 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 + 62056 520.14843 -3217.9192 0.35275062 3593.8982 0.16280322 116 123 5.9965398 0.18296377 0.00075738043 2.332667 5.5485401 250136.37 3 6 +Loop time of 0.028944 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 6.0069324 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 - 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 6.0069324 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 -Loop time of 0.236446 on 4 procs for 1000 steps with 577 atoms + 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 5.9965398 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 + 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 5.9965398 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 +Loop time of 0.275961 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 6.0069324 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 - 63059 506.90141 -3217.9192 0.019630501 1.5771264 0.29405188 577 555 6.0069324 0.18173457 0.00074533374 2.332667 5.5485401 257004.48 3 6 -Loop time of 0.0258729 on 4 procs for 59 steps with 577 atoms + 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 5.9965398 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 + 63059 506.90141 -3217.9192 0.019630501 1.5771264 0.29405188 577 555 5.9965398 0.18173457 0.00074533374 2.332667 5.5485401 257004.48 3 6 +Loop time of 0.0309695 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 6.0069324 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 - 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 6.0069324 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 -Loop time of 0.224694 on 4 procs for 1000 steps with 577 atoms + 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 5.9965398 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 + 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 5.9965398 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 +Loop time of 0.277091 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 6.0069324 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 - 64053 435.29185 -3217.9192 0.08981574 8.0408468 0.27172259 266 267 6.0069324 0.18045993 0.00073376735 2.332667 5.5485401 261196.79 3 6 -Loop time of 0.023932 on 4 procs for 53 steps with 577 atoms + 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 5.9965398 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 + 64053 435.29185 -3217.9192 0.08981574 8.0408468 0.27172259 266 267 5.9965398 0.18045993 0.00073376735 2.332667 5.5485401 261196.79 3 6 +Loop time of 0.0271819 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 6.0069324 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 - 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 6.0069324 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 -Loop time of 0.225038 on 4 procs for 1000 steps with 577 atoms + 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 5.9965398 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 + 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 5.9965398 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 +Loop time of 0.274965 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 6.0069324 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 - 65053 484.45338 -3217.9192 0.27900382 648.98038 0.19944752 85 87 6.0069324 0.17940756 0.00072248782 2.332667 5.5485401 267611.45 3 6 -Loop time of 0.0248089 on 4 procs for 53 steps with 577 atoms + 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 5.9965398 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 + 65053 484.45338 -3217.9192 0.27900382 648.98038 0.19944752 85 87 5.9965398 0.17940756 0.00072248782 2.332667 5.5485401 267611.45 3 6 +Loop time of 0.0277953 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 6.0069324 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 - 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 6.0069324 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 -Loop time of 0.233376 on 4 procs for 1000 steps with 577 atoms + 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 5.9965398 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 + 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 5.9965398 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 +Loop time of 0.273037 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 6.0069324 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 - 66058 497.23553 -3217.9192 0.25525209 373.95984 0.20989193 412 411 6.0069324 0.17788913 0.00071149596 2.332667 5.5485401 274383.49 3 6 -Loop time of 0.0279601 on 4 procs for 58 steps with 577 atoms + 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 5.9965398 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 + 66058 497.23553 -3217.9192 0.25525209 373.95984 0.20989193 412 411 5.9965398 0.17788913 0.00071149596 2.332667 5.5485401 274383.49 3 6 +Loop time of 0.0307388 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 6.0069324 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 - 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 6.0069324 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 -Loop time of 0.237521 on 4 procs for 1000 steps with 577 atoms + 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 5.9965398 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 + 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 5.9965398 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 +Loop time of 0.277291 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 6.0069324 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 - 67055 488.34684 -3217.9192 0.27967841 659.2212 0.19914288 264 275 6.0069324 0.1792111 0.00070091716 2.332667 5.5485401 274635.62 3 6 -Loop time of 0.0262208 on 4 procs for 55 steps with 577 atoms + 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 5.9965398 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 + 67055 488.34684 -3217.9192 0.27967841 659.2212 0.19914288 264 275 5.9965398 0.1792111 0.00070091716 2.332667 5.5485401 274635.62 3 6 +Loop time of 0.0298107 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 6.0069324 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 - 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 6.0069324 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 -Loop time of 0.224043 on 4 procs for 1000 steps with 577 atoms + 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 5.9965398 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 + 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 5.9965398 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 +Loop time of 0.278847 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 6.0069324 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 - 68060 547.06201 -3217.9192 0.11427629 14.185774 0.26349624 261 263 6.0069324 0.17866588 0.00069056715 2.332667 5.5485401 277575.99 3 6 -Loop time of 0.0288572 on 4 procs for 60 steps with 577 atoms + 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 5.9965398 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 + 68060 547.06201 -3217.9192 0.11427629 14.185774 0.26349624 261 263 5.9965398 0.17866588 0.00069056715 2.332667 5.5485401 277575.99 3 6 +Loop time of 0.0320448 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 6.0069324 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 - 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 6.0069324 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 -Loop time of 0.227692 on 4 procs for 1000 steps with 577 atoms + 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 5.9965398 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 + 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 5.9965398 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 +Loop time of 0.276989 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 6.0069324 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 - 69056 508.94771 -3217.9192 0.10069537 10.350552 0.26809482 264 275 6.0069324 0.18080978 0.00068060704 2.332667 5.5485401 279847.52 3 6 -Loop time of 0.0247979 on 4 procs for 56 steps with 577 atoms + 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 5.9965398 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 + 69056 508.94771 -3217.9192 0.10069537 10.350552 0.26809482 264 275 5.9965398 0.18080978 0.00068060704 2.332667 5.5485401 279847.52 3 6 +Loop time of 0.0288935 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 6.0069324 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 - 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 6.0069324 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 -Loop time of 0.232204 on 4 procs for 1000 steps with 577 atoms + 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 5.9965398 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 + 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 5.9965398 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 +Loop time of 0.277847 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 6.0069324 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 - 70054 499.92534 -3217.9192 0.3528879 3605.3669 0.16272731 283 288 6.0069324 0.18128872 0.00072800982 2.332667 5.5485401 281504.52 3 6 -Loop time of 0.0249009 on 4 procs for 54 steps with 577 atoms + 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 5.9965398 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 + 70054 499.92534 -3217.9192 0.3528879 3605.3669 0.16272731 283 288 5.9965398 0.18128872 0.00072800982 2.332667 5.5485401 281504.52 3 6 +Loop time of 0.028778 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 6.0069324 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 - 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 6.0069324 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 -Loop time of 0.229025 on 4 procs for 1000 steps with 577 atoms + 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 5.9965398 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 + 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 5.9965398 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 +Loop time of 0.277017 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 6.0069324 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 - 71059 506.70688 -3217.9192 0.082678879 6.813425 0.27407627 541 543 6.0069324 0.18035717 0.00071771345 2.332667 5.5485401 286003.61 3 6 -Loop time of 0.0265949 on 4 procs for 59 steps with 577 atoms + 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 5.9965398 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 + 71059 506.70688 -3217.9192 0.082678879 6.813425 0.27407627 541 543 5.9965398 0.18035717 0.00071771345 2.332667 5.5485401 286003.61 3 6 +Loop time of 0.0308528 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 6.0069324 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 - 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 6.0069324 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 -Loop time of 0.228346 on 4 procs for 1000 steps with 577 atoms + 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 5.9965398 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 + 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 5.9965398 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 +Loop time of 0.277141 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 6.0069324 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 - 72053 464.23294 -3217.9192 0 1 0.31542276 275 577 6.0069324 0.1825323 0.0007078123 2.332667 5.5485401 286734.83 3 6 -Loop time of 0.026114 on 4 procs for 53 steps with 577 atoms + 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 5.9965398 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 + 72053 464.23294 -3217.9192 0 1 0.31542276 275 577 5.9965398 0.1825323 0.0007078123 2.332667 5.5485401 286734.83 3 6 +Loop time of 0.0284171 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 6.0069324 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 - 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 6.0069324 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 -Loop time of 0.229123 on 4 procs for 1000 steps with 577 atoms + 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 5.9965398 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 + 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 5.9965398 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 +Loop time of 0.278715 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 6.0069324 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 - 73054 529.30216 -3217.9192 0.1005148 10.307265 0.26815543 411 416 6.0069324 0.18380924 0.00069811372 2.332667 5.5485401 287872.93 3 6 -Loop time of 0.0243089 on 4 procs for 54 steps with 577 atoms + 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 5.9965398 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 + 73054 529.30216 -3217.9192 0.1005148 10.307265 0.26815543 411 416 5.9965398 0.18380924 0.00069811372 2.332667 5.5485401 287872.93 3 6 +Loop time of 0.0280678 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 6.0069324 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 - 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 6.0069324 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 -Loop time of 0.236133 on 4 procs for 1000 steps with 577 atoms + 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 5.9965398 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 + 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 5.9965398 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 +Loop time of 0.274991 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 6.0069324 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 - 74055 490.65557 -3217.9192 0.14904687 31.792497 0.25133954 111 116 6.0069324 0.18309365 0.00068867733 2.332667 5.5485401 294766.16 3 6 -Loop time of 0.0264881 on 4 procs for 55 steps with 577 atoms + 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 5.9965398 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 + 74055 490.65557 -3217.9192 0.14904687 31.792497 0.25133954 111 116 5.9965398 0.18309365 0.00068867733 2.332667 5.5485401 294766.16 3 6 +Loop time of 0.0289814 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 6.0069324 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 - 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 6.0069324 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 -Loop time of 0.228974 on 4 procs for 1000 steps with 577 atoms + 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 5.9965398 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 + 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 5.9965398 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 +Loop time of 0.273758 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 6.0069324 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 - 75053 475.22638 -3217.9192 0.37341486 5805.6632 0.15094809 563 564 6.0069324 0.18199139 0.00073281548 2.332667 5.5485401 302150.54 3 6 -Loop time of 0.0246332 on 4 procs for 53 steps with 577 atoms + 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 5.9965398 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 + 75053 475.22638 -3217.9192 0.37341486 5805.6632 0.15094809 563 564 5.9965398 0.18199139 0.00073281548 2.332667 5.5485401 302150.54 3 6 +Loop time of 0.0272248 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 6.0069324 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 - 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 6.0069324 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 -Loop time of 0.223991 on 4 procs for 1000 steps with 577 atoms + 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 5.9965398 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 + 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 5.9965398 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 +Loop time of 0.272244 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 6.0069324 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 - 76058 523.91803 -3217.9192 0.038679316 2.4539737 0.28816267 263 264 6.0069324 0.18272897 0.00072313235 2.332667 5.5485401 304160.3 3 6 -Loop time of 0.0268497 on 4 procs for 58 steps with 577 atoms + 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 5.9965398 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 + 76058 523.91803 -3217.9192 0.038679316 2.4539737 0.28816267 263 264 5.9965398 0.18272897 0.00072313235 2.332667 5.5485401 304160.3 3 6 +Loop time of 0.0292178 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 6.0069324 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 - 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 6.0069324 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 -Loop time of 0.226324 on 4 procs for 1000 steps with 577 atoms + 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 5.9965398 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 + 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 5.9965398 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 +Loop time of 0.276803 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 6.0069324 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 - 77059 511.16512 -3217.9192 0 1 0.31251901 264 275 6.0069324 0.18776522 0.00071373882 2.332667 5.5485401 304174.43 3 6 -Loop time of 0.026314 on 4 procs for 59 steps with 577 atoms + 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 5.9965398 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 + 77059 511.16512 -3217.9192 0 1 0.31251901 264 275 5.9965398 0.18776522 0.00071373882 2.332667 5.5485401 304174.43 3 6 +Loop time of 0.0309293 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 6.0069324 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 - 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 6.0069324 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 -Loop time of 0.234504 on 4 procs for 1000 steps with 577 atoms + 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 5.9965398 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 + 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 5.9965398 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 +Loop time of 0.277125 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 6.0069324 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 - 78062 554.58169 -3217.9192 0.022175428 1.6730858 0.29327193 263 264 6.0069324 0.19022059 0.00094796444 2.332667 5.5485401 304438.98 3 6 -Loop time of 0.0297351 on 4 procs for 62 steps with 577 atoms + 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 5.9965398 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 + 78062 554.58169 -3217.9192 0.022175428 1.6730858 0.29327193 263 264 5.9965398 0.19022059 0.00094796444 2.332667 5.5485401 304438.98 3 6 +Loop time of 0.032167 on 4 procs for 62 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 6.0069324 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 - 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 6.0069324 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 -Loop time of 0.228044 on 4 procs for 1000 steps with 577 atoms + 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 5.9965398 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 + 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 5.9965398 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 +Loop time of 0.27817 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 6.0069324 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 - 79057 523.97176 -3217.9192 0.1672356 48.490735 0.24473985 556 567 6.0069324 0.1900401 0.00093603349 2.332667 5.5485401 306076.23 3 6 -Loop time of 0.026444 on 4 procs for 57 steps with 577 atoms + 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 5.9965398 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 + 79057 523.97176 -3217.9192 0.1672356 48.490735 0.24473985 556 567 5.9965398 0.1900401 0.00093603349 2.332667 5.5485401 306076.23 3 6 +Loop time of 0.0299338 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 6.0069324 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 - 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 6.0069324 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 -Loop time of 0.224854 on 4 procs for 1000 steps with 577 atoms + 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 5.9965398 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 + 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 5.9965398 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 +Loop time of 0.277236 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 6.0069324 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 - 80059 479.09781 -3217.9192 0 1 0.30854872 263 577 6.0069324 0.19007232 0.00092431832 2.332667 5.5485401 308522.09 3 6 -Loop time of 0.0272751 on 4 procs for 59 steps with 577 atoms + 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 5.9965398 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 + 80059 479.09781 -3217.9192 0 1 0.30854872 263 577 5.9965398 0.19007232 0.00092431832 2.332667 5.5485401 308522.09 3 6 +Loop time of 0.0311648 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 6.0069324 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 - 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 6.0069324 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 -Loop time of 0.226269 on 4 procs for 1000 steps with 577 atoms + 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 5.9965398 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 + 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 5.9965398 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 +Loop time of 0.277146 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 6.0069324 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 - 81056 517.52613 -3217.9192 0.29863857 1023.6251 0.19038135 254 256 6.0069324 0.18983172 0.00091294907 2.332667 5.5485401 311171.12 3 6 -Loop time of 0.0258186 on 4 procs for 56 steps with 577 atoms + 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 5.9965398 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 + 81056 517.52613 -3217.9192 0.29863857 1023.6251 0.19038135 254 256 5.9965398 0.18983172 0.00091294907 2.332667 5.5485401 311171.12 3 6 +Loop time of 0.0298678 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 6.0069324 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 - 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 6.0069324 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 -Loop time of 0.235559 on 4 procs for 1000 steps with 577 atoms + 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 5.9965398 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 + 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 5.9965398 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 +Loop time of 0.276186 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 6.0069324 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 - 82055 503.95678 -3217.9192 0.091495497 8.3605139 0.27116565 263 264 6.0069324 0.18849552 0.0010358906 2.332667 5.5485401 315319.38 3 6 -Loop time of 0.0261242 on 4 procs for 55 steps with 577 atoms + 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 5.9965398 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 + 82055 503.95678 -3217.9192 0.091495497 8.3605139 0.27116565 263 264 5.9965398 0.18849552 0.0010358906 2.332667 5.5485401 315319.38 3 6 +Loop time of 0.0282569 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 6.0069324 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 - 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 6.0069324 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 -Loop time of 0.227873 on 4 procs for 1000 steps with 577 atoms + 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 5.9965398 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 + 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 5.9965398 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 +Loop time of 0.278013 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 6.0069324 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 - 83064 537.67639 -3217.9192 0 1 0.32414276 263 264 6.0069324 0.18955263 0.0010233073 2.332667 5.5485401 316613.84 3 6 -Loop time of 0.0301323 on 4 procs for 64 steps with 577 atoms + 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 5.9965398 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 + 83064 537.67639 -3217.9192 0 1 0.32414276 263 264 5.9965398 0.18955263 0.0010233073 2.332667 5.5485401 316613.84 3 6 +Loop time of 0.0331041 on 4 procs for 64 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 6.0069324 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 - 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 6.0069324 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 -Loop time of 0.228573 on 4 procs for 1000 steps with 577 atoms + 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 5.9965398 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 + 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 5.9965398 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 +Loop time of 0.277083 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 6.0069324 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 - 84052 510.26841 -3217.9192 0.23554832 236.71181 0.21817723 142 424 6.0069324 0.18988245 0.0010112787 2.332667 5.5485401 318598.08 3 6 -Loop time of 0.0254717 on 4 procs for 52 steps with 577 atoms + 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 5.9965398 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 + 84052 510.26841 -3217.9192 0.23554832 236.71181 0.21817723 142 424 5.9965398 0.18988245 0.0010112787 2.332667 5.5485401 318598.08 3 6 +Loop time of 0.0273927 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 6.0069324 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 - 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 6.0069324 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 -Loop time of 0.231174 on 4 procs for 1000 steps with 577 atoms + 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 5.9965398 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 + 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 5.9965398 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 +Loop time of 0.277162 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 6.0069324 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 - 85055 472.16876 -3217.9192 0 1 0.34247044 264 275 6.0069324 0.18958321 0.00099935336 2.332667 5.5485401 323882.61 3 6 -Loop time of 0.0253472 on 4 procs for 55 steps with 577 atoms + 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 5.9965398 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 + 85055 472.16876 -3217.9192 0 1 0.34247044 264 275 5.9965398 0.18958321 0.00099935336 2.332667 5.5485401 323882.61 3 6 +Loop time of 0.028803 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 6.0069324 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 - 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 6.0069324 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 -Loop time of 0.241364 on 4 procs for 1000 steps with 577 atoms + 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 5.9965398 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 + 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 5.9965398 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 +Loop time of 0.279566 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 6.0069324 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 - 86053 509.30024 -3217.9192 0.20619306 119.76563 0.22996793 275 276 6.0069324 0.19098695 0.00098776336 2.332667 5.5485401 325788.44 3 6 -Loop time of 0.0262635 on 4 procs for 53 steps with 577 atoms + 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 5.9965398 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 + 86053 509.30024 -3217.9192 0.20619306 119.76563 0.22996793 275 276 5.9965398 0.19098695 0.00098776336 2.332667 5.5485401 325788.44 3 6 +Loop time of 0.0286081 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 6.0069324 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 - 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 6.0069324 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 -Loop time of 0.230381 on 4 procs for 1000 steps with 577 atoms + 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 5.9965398 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 + 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 5.9965398 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 +Loop time of 0.275685 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 6.0069324 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 - 87058 478.57944 -3217.9192 0.19192384 86.001287 0.23548611 260 271 6.0069324 0.18966666 0.00097636059 2.332667 5.5485401 330047.59 3 6 -Loop time of 0.0275965 on 4 procs for 58 steps with 577 atoms + 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 5.9965398 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 + 87058 478.57944 -3217.9192 0.19192384 86.001287 0.23548611 260 271 5.9965398 0.18966666 0.00097636059 2.332667 5.5485401 330047.59 3 6 +Loop time of 0.0299653 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 6.0069324 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 - 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 6.0069324 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 -Loop time of 0.229339 on 4 procs for 1000 steps with 577 atoms + 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 5.9965398 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 + 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 5.9965398 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 +Loop time of 0.273963 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 6.0069324 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 - 88050 515.63138 -3217.9192 0.35491784 3779.2911 0.16160071 543 577 6.0069324 0.18816581 0.00096536059 2.332667 5.5485401 337304.34 3 6 -Loop time of 0.0253522 on 4 procs for 50 steps with 577 atoms + 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 5.9965398 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 + 88050 515.63138 -3217.9192 0.35491784 3779.2911 0.16160071 543 577 5.9965398 0.18816581 0.00096536059 2.332667 5.5485401 337304.34 3 6 +Loop time of 0.0262729 on 4 procs for 50 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 6.0069324 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 - 89000 520.37063 -3197.8234 0 1 0.92013924 262 275 6.0069324 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 3 6 -Loop time of 0.234048 on 4 procs for 1000 steps with 577 atoms + 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 5.9965398 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 + 89000 520.37063 -3197.8234 0 1 0.92013924 262 275 5.9965398 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 3 6 +Loop time of 0.276247 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 89000 520.37063 -3197.8234 0 1 0.92013924 262 275 6.0069324 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 3 6 - 89052 520.37063 -3217.9192 0 1 0.92013924 262 275 6.0069324 0.19137133 0.00111171 2.332667 5.5485401 339909.57 3 6 -Loop time of 0.0242915 on 4 procs for 52 steps with 577 atoms + 89000 520.37063 -3197.8234 0 1 0.92013924 262 275 5.9965398 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 3 6 + 89052 520.37063 -3217.9192 0 1 0.92013924 262 275 5.9965398 0.19137133 0.00111171 2.332667 5.5485401 339909.57 3 6 +Loop time of 0.0270152 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 89000 520.37063 -3197.8234 0.34652166 3110.1454 0.16621101 111 112 6.0069324 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 4 8 - 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 6.0069324 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 -Loop time of 0.239736 on 4 procs for 1000 steps with 577 atoms + 89000 520.37063 -3197.8234 0.34652166 3110.1454 0.16621101 111 112 5.9965398 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 4 8 + 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 5.9965398 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 +Loop time of 0.272635 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 6.0069324 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 - 90058 455.69218 -3217.9192 0.30521336 1192.3721 0.18724742 416 415 6.0069324 0.19037731 0.0010992916 2.332667 5.5485401 345606.41 4 8 -Loop time of 0.027481 on 4 procs for 58 steps with 577 atoms + 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 5.9965398 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 + 90058 455.69218 -3217.9192 0.30521336 1192.3721 0.18724742 416 415 5.9965398 0.19037731 0.0010992916 2.332667 5.5485401 345606.41 4 8 +Loop time of 0.0304691 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 6.0069324 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 - 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 6.0069324 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 -Loop time of 0.23396 on 4 procs for 1000 steps with 577 atoms + 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 5.9965398 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 + 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 5.9965398 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 +Loop time of 0.272004 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 6.0069324 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 - 91051 506.17768 -3217.9192 0.035696451 2.2898339 0.28909279 547 548 6.0069324 0.18972883 0.0010873027 2.332667 5.5485401 350825.27 4 8 -Loop time of 0.0249534 on 4 procs for 51 steps with 577 atoms + 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 5.9965398 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 + 91051 506.17768 -3217.9192 0.035696451 2.2898339 0.28909279 547 548 5.9965398 0.18972883 0.0010873027 2.332667 5.5485401 350825.27 4 8 +Loop time of 0.0266677 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 6.0069324 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 - 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 6.0069324 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 -Loop time of 0.233376 on 4 procs for 1000 steps with 577 atoms + 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 5.9965398 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 + 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 5.9965398 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 +Loop time of 0.271163 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 6.0069324 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 - 92060 478.3025 -3217.9192 0 1 0.30393958 544 556 6.0069324 0.19184228 0.0010753856 2.332667 5.5485401 352816.62 4 8 -Loop time of 0.0286014 on 4 procs for 60 steps with 577 atoms + 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 5.9965398 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 + 92060 478.3025 -3217.9192 0 1 0.30393958 544 556 5.9965398 0.19184228 0.0010753856 2.332667 5.5485401 352816.62 4 8 +Loop time of 0.0311572 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 6.0069324 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 - 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 6.0069324 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 -Loop time of 0.234626 on 4 procs for 1000 steps with 577 atoms + 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 5.9965398 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 + 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 5.9965398 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 +Loop time of 0.272074 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 6.0069324 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 - 93056 485.23153 -3217.9192 0.16699022 48.215364 0.24483006 544 556 6.0069324 0.19408743 0.0010638755 2.332667 5.5485401 354391.05 4 8 -Loop time of 0.0261769 on 4 procs for 56 steps with 577 atoms + 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 5.9965398 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 + 93056 485.23153 -3217.9192 0.16699022 48.215364 0.24483006 544 556 5.9965398 0.19408743 0.0010638755 2.332667 5.5485401 354391.05 4 8 +Loop time of 0.0298992 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 6.0069324 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 - 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 6.0069324 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 -Loop time of 0.229448 on 4 procs for 1000 steps with 577 atoms + 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 5.9965398 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 + 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 5.9965398 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 +Loop time of 0.272173 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 6.0069324 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 - 94061 499.72991 -3217.9192 0 1 0.30394408 544 556 6.0069324 0.19431008 0.0010525085 2.332667 5.5485401 360147.54 4 8 -Loop time of 0.0281783 on 4 procs for 61 steps with 577 atoms + 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 5.9965398 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 + 94061 499.72991 -3217.9192 0 1 0.30394408 544 556 5.9965398 0.19431008 0.0010525085 2.332667 5.5485401 360147.54 4 8 +Loop time of 0.0319443 on 4 procs for 61 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 6.0069324 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 - 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 6.0069324 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 -Loop time of 0.224206 on 4 procs for 1000 steps with 577 atoms + 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 5.9965398 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 + 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 5.9965398 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 +Loop time of 0.273026 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 6.0069324 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 - 95060 509.83941 -3217.9192 0.078854869 6.234781 0.27532912 555 556 6.0069324 0.1966863 0.0010414475 2.332667 5.5485401 360599.28 4 8 -Loop time of 0.027992 on 4 procs for 60 steps with 577 atoms + 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 5.9965398 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 + 95060 509.83941 -3217.9192 0.078854869 6.234781 0.27532912 555 556 5.9965398 0.1966863 0.0010414475 2.332667 5.5485401 360599.28 4 8 +Loop time of 0.031275 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 6.0069324 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 - 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 6.0069324 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 -Loop time of 0.228167 on 4 procs for 1000 steps with 577 atoms + 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 5.9965398 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 + 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 5.9965398 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 +Loop time of 0.272012 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 6.0069324 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 - 96053 486.83779 -3217.9192 0.31070799 1354.5503 0.18458755 136 431 6.0069324 0.19610007 0.001030681 2.332667 5.5485401 365489.89 4 8 -Loop time of 0.024569 on 4 procs for 53 steps with 577 atoms + 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 5.9965398 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 + 96053 486.83779 -3217.9192 0.31070799 1354.5503 0.18458755 136 431 5.9965398 0.19610007 0.001030681 2.332667 5.5485401 365489.89 4 8 +Loop time of 0.0279008 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 6.0069324 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 - 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 6.0069324 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 -Loop time of 0.23889 on 4 procs for 1000 steps with 577 atoms + 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 5.9965398 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 + 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 5.9965398 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 +Loop time of 0.271972 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 6.0069324 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 - 97052 499.91835 -3217.9192 0.2280334 198.82589 0.22125548 280 111 6.0069324 0.19481309 0.0010200717 2.332667 5.5485401 372336.45 4 8 -Loop time of 0.0262206 on 4 procs for 52 steps with 577 atoms + 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 5.9965398 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 + 97052 499.91835 -3217.9192 0.2280334 198.82589 0.22125548 280 111 5.9965398 0.19481309 0.0010200717 2.332667 5.5485401 372336.45 4 8 +Loop time of 0.0270085 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 6.0069324 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 - 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 6.0069324 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 -Loop time of 0.239305 on 4 procs for 1000 steps with 577 atoms + 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 5.9965398 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 + 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 5.9965398 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 +Loop time of 0.275821 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 6.0069324 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 - 98054 547.56456 -3217.9192 0.27848637 641.23302 0.19968088 430 136 6.0069324 0.1956371 0.0010096477 2.332667 5.5485401 377711.41 4 8 -Loop time of 0.0272166 on 4 procs for 54 steps with 577 atoms + 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 5.9965398 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 + 98054 547.56456 -3217.9192 0.27848637 641.23302 0.19968088 430 136 5.9965398 0.1956371 0.0010096477 2.332667 5.5485401 377711.41 4 8 +Loop time of 0.0288118 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 6.0069324 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 - 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 6.0069324 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 -Loop time of 0.235176 on 4 procs for 1000 steps with 577 atoms + 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 5.9965398 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 + 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 5.9965398 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 +Loop time of 0.273905 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 6.0069324 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 - 99053 504.19627 -3217.9192 0 1 0.33814873 287 276 6.0069324 0.19506729 0.00099946493 2.332667 5.5485401 381676.19 4 8 -Loop time of 0.0249114 on 4 procs for 53 steps with 577 atoms + 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 5.9965398 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 + 99053 504.19627 -3217.9192 0 1 0.33814873 287 276 5.9965398 0.19506729 0.00099946493 2.332667 5.5485401 381676.19 4 8 +Loop time of 0.0270357 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 6.0069324 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 - 100000 542.04702 -3198.2211 0.37630331 6208.2061 0.14921597 563 564 6.0069324 0.19442 0.00099 2.332667 5.5485401 385211.4 4 8 -Loop time of 0.226452 on 4 procs for 1000 steps with 577 atoms + 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 5.9965398 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 + 100000 542.04702 -3198.2211 0.37630331 6208.2061 0.14921597 563 564 5.9965398 0.19442 0.00099 2.332667 5.5485401 385211.4 4 8 +Loop time of 0.273417 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] - 100000 542.04702 -3198.2211 0.37630331 6208.2061 0.14921597 563 564 6.0069324 0.19442 0.00099 2.332667 5.5485401 385211.4 4 8 - 100060 542.04702 -3217.9192 0.37630331 6208.2061 0.14921597 563 564 6.0069324 0.19430342 0.00098940636 2.332667 5.5485401 385211.4 4 8 -Loop time of 0.0303354 on 4 procs for 60 steps with 577 atoms + 100000 542.04702 -3198.2211 0.37630331 6208.2061 0.14921597 563 564 5.9965398 0.19442 0.00099 2.332667 5.5485401 385211.4 4 8 + 100060 542.04702 -3217.9192 0.37630331 6208.2061 0.14921597 563 564 5.9965398 0.19430342 0.00098940636 2.332667 5.5485401 385211.4 4 8 +Loop time of 0.0298654 on 4 procs for 60 steps with 577 atoms Final hyper stats ... @@ -1214,27 +1214,27 @@ Quantities for this hyper run: fraction of biased bonds with zero bias = 0.19442 fraction of biased bonds with negative strain = 0.00099 Current quantities: - ave bonds/atom = 6.00693 + ave bonds/atom = 5.99654 -Loop time of 26.6054 on 4 procs for 100000 steps with 577 atoms +Loop time of 31.4977 on 4 procs for 100000 steps with 577 atoms -Performance: 1623.732 ns/day, 0.015 hours/ns, 3758.639 timesteps/s -100.6% CPU use with 4 MPI tasks x no OpenMP threads +Performance: 1371.531 ns/day, 0.017 hours/ns, 3174.839 timesteps/s +101.1% CPU use with 4 MPI tasks x no OpenMP threads Hyper stats: - Dynamics time (%) = 23.5897 (88.665) - Quench time (%) = 2.6357 (9.90664) - Other time (%) = 0.875172 (3.28945) + Dynamics time (%) = 28.1374 (89.3318) + Quench time (%) = 2.9881 (9.48673) + Other time (%) = 0.783587 (2.48776) MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 18.942 | 19.435 | 20.026 | 10.1 | 73.05 -Neigh | 1.3021 | 1.3833 | 1.4611 | 6.2 | 5.20 -Comm | 2.1376 | 2.1725 | 2.2239 | 2.2 | 8.17 -Output | 0.0033467 | 0.0034443 | 0.0037186 | 0.3 | 0.01 -Modify | 2.0693 | 2.7356 | 3.2627 | 30.2 | 10.28 -Other | | 0.8752 | | | 3.29 +Pair | 23.341 | 23.526 | 23.801 | 3.6 | 74.69 +Neigh | 1.4987 | 1.5551 | 1.628 | 4.0 | 4.94 +Comm | 3.1241 | 3.1892 | 3.2505 | 3.2 | 10.13 +Output | 0 | 0.0014506 | 0.0033743 | 3.9 | 0.00 +Modify | 2.2355 | 2.4419 | 2.5791 | 8.1 | 7.75 +Other | | 0.7836 | | | 2.49 Nlocal: 144.25 ave 152 max 139 min Histogram: 1 1 0 0 1 0 0 0 0 1 @@ -1247,4 +1247,4 @@ Total # of neighbors = 13473 Ave neighs/atom = 23.3501 Neighbor list builds = 10072 Dangerous builds = 0 -Total wall time: 0:00:27 +Total wall time: 0:00:31 diff --git a/examples/hyper/log.9Jan20.hyper.local.g++.4 b/examples/hyper/log.9Jan20.hyper.local.g++.4 new file mode 100644 index 0000000000..6ef7a76365 --- /dev/null +++ b/examples/hyper/log.9Jan20.hyper.local.g++.4 @@ -0,0 +1,646 @@ +LAMMPS (09 Jan 2020) +# 3d EAM surface for local HD + +# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92 +# hop event on (100) surface is same distance +# exchange event is 2 atoms moving same distance + +variable Tequil index 400.0 +variable Vmax index 0.4 +variable qfactor index 0.3 +variable cutbond index 3.2 +variable Dcut index 10.0 +variable cutevent index 1.1 +variable alpha index 200.0 +variable boost index 4000.0 +variable ghostcut index 12.0 +variable steps index 2000 +variable nevent index 100 +variable nx index 2 +variable ny index 2 +variable zoom index 1.8 +variable seed index 3875984 +variable tol index 1.0e-15 +variable add index 50 + +units metal +atom_style atomic +atom_modify map array +boundary p p p +comm_modify cutoff ${ghostcut} +comm_modify cutoff 12.0 + +lattice fcc 3.92 +Lattice spacing in x,y,z = 3.92 3.92 3.92 +region box block 0 6 0 6 0 4 +create_box 2 box +Created orthogonal box = (0 0 0) to (23.52 23.52 15.68) + 2 by 2 by 1 MPI processor grid +create_atoms 1 box +Created 576 atoms + create_atoms CPU = 0 secs + +mass * 1.0 + +change_box all z final -0.1 5.0 boundary p p f + orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6) + +# replicate in xy + +replicate ${nx} ${ny} 1 +replicate 2 ${ny} 1 +replicate 2 2 1 + orthogonal box = (0 0 -0.392) to (47.04 47.04 19.6) + 2 by 2 by 1 MPI processor grid + 2304 atoms + replicate CPU = 0.00200009 secs + +# add adatoms + +include adatoms.list.${add} +include adatoms.list.50 +create_atoms 1 single 5 9 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 4.5 7.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 6 6 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 5 6 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 4.5 1.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 6.5 7.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 10.5 5.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 2.5 1.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 3.5 4.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 0 10 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 11 10 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 6.5 10.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 3.5 5.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 7.5 10.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 1.5 1.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 1.5 6.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 7 2 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 4 0 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 9 0 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 4 9 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 10 7 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 4 4 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 9.5 2.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 1 5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 7 10 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 0 4 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 1 10 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 7.5 6.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 4 10 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 6.5 3.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 3 6 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 8.5 4.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 6.5 0.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 1 4 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 8.5 11.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 3 9 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 2 3 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 6.5 8.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 1 0 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 0.5 10.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 4 11 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 3 5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 0 1 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 2 11 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 2 0 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 7.5 11.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 1 7 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 3.5 10.5 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 0 2 4 +Created 1 atoms + create_atoms CPU = 0 secs +create_atoms 1 single 8 4 4 +Created 1 atoms + create_atoms CPU = 0 secs + +# define frozen substrate and mobile atoms + +region base block INF INF INF INF 0 1.8 +set region base type 2 + 1152 settings made for type +group base type 2 +1152 atoms in group base +group mobile type 1 +1202 atoms in group mobile + +# pair style + +pair_style eam/alloy +pair_coeff * * ptvoterlammps.eam Pt Pt + +neighbor 0.5 bin +neigh_modify every 1 delay 5 check yes + +fix 1 mobile nve +fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes +fix 2 mobile langevin 400.0 ${Tequil} 1.0 ${seed} zero yes +fix 2 mobile langevin 400.0 400.0 1.0 ${seed} zero yes +fix 2 mobile langevin 400.0 400.0 1.0 3875984 zero yes + +timestep 0.005 + +compute tmobile mobile temp + +thermo 100 +thermo_modify temp tmobile +WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:485) + +# thermal equilibration + +run 1000 +Neighbor list info ... + update every 1 steps, delay 5 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 6.07583 + ghost atom cutoff = 12 + binsize = 3.03792, bins = 16 16 7 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair eam/alloy, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d/newton + bin: standard +Per MPI rank memory allocation (min/avg/max) = 3.082 | 3.082 | 3.082 Mbytes +Step Temp E_pair E_mol TotEng Press + 0 0 -13067.188 0 -13067.188 -53763.139 + 100 216.49187 -13065.694 0 -13032.085 -24077.115 + 200 285.11905 -13057.047 0 -13012.785 -38815.844 + 300 321.67264 -13048.005 0 -12998.068 -29296.124 + 400 352.90893 -13045.707 0 -12990.92 -34630.884 + 500 371.9393 -13041.234 0 -12983.494 -28913.827 + 600 379.08135 -13040.06 0 -12981.211 -33399.8 + 700 388.73836 -13039.691 0 -12979.343 -29446.954 + 800 402.13628 -13040.606 0 -12978.178 -33026.861 + 900 389.43806 -13036.884 0 -12976.427 -30328.658 + 1000 388.66198 -13037.479 0 -12977.142 -30859.145 +Loop time of 1.28003 on 4 procs for 1000 steps with 2354 atoms + +Performance: 337.492 ns/day, 0.071 hours/ns, 781.232 timesteps/s +100.0% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 1.054 | 1.077 | 1.094 | 1.6 | 84.14 +Neigh | 0.054002 | 0.056502 | 0.060002 | 1.0 | 4.41 +Comm | 0.087002 | 0.11025 | 0.133 | 5.6 | 8.61 +Output | 0 | 0 | 0 | 0.0 | 0.00 +Modify | 0.031003 | 0.031502 | 0.032002 | 0.3 | 2.46 +Other | | 0.00475 | | | 0.37 + +Nlocal: 588.5 ave 592 max 581 min +Histogram: 1 0 0 0 0 0 0 1 0 2 +Nghost: 1964 ave 1973 max 1959 min +Histogram: 2 0 0 1 0 0 0 0 0 1 +Neighs: 14148.8 ave 14283 max 13931 min +Histogram: 1 0 0 0 0 0 1 1 0 1 + +Total # of neighbors = 56595 +Ave neighs/atom = 24.0421 +Neighbor list builds = 91 +Dangerous builds = 0 +reset_timestep 0 + +# pin base so will not move during quenches + +fix freeze base setforce 0.0 0.0 0.0 + +# event detection + +compute event all event/displace ${cutevent} +compute event all event/displace 1.1 + +# hyper/local + +fix HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil} ${Dcut} ${alpha} ${boost} +fix HL mobile hyper/local 3.2 ${qfactor} ${Vmax} ${Tequil} ${Dcut} ${alpha} ${boost} +fix HL mobile hyper/local 3.2 0.3 ${Vmax} ${Tequil} ${Dcut} ${alpha} ${boost} +fix HL mobile hyper/local 3.2 0.3 0.4 ${Tequil} ${Dcut} ${alpha} ${boost} +fix HL mobile hyper/local 3.2 0.3 0.4 400.0 ${Dcut} ${alpha} ${boost} +fix HL mobile hyper/local 3.2 0.3 0.4 400.0 10.0 ${alpha} ${boost} +fix HL mobile hyper/local 3.2 0.3 0.4 400.0 10.0 200.0 ${boost} +fix HL mobile hyper/local 3.2 0.3 0.4 400.0 10.0 200.0 4000.0 + +# thermo output + +thermo_style custom step temp pe f_HL f_HL[*] +WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:708) + +thermo_modify lost ignore +thermo_modify temp tmobile +WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:485) + +thermo ${nevent} +thermo 100 + +# dump + +region substrate block INF INF INF INF 1.8 3.8 +region adatoms block INF INF INF INF 3.8 INF +variable acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms) + +dump 1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01 +dump 1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01 +dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green + +# run + +hyper ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1 +hyper 2000 ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1 +hyper 2000 100 HL event min ${tol} ${tol} 1000 1000 dump 1 +hyper 2000 100 HL event min 1.0e-15 ${tol} 1000 1000 dump 1 +hyper 2000 100 HL event min 1.0e-15 1.0e-15 1000 1000 dump 1 +WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:131) +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 6.07583 + ghost atom cutoff = 12 + binsize = 3.03792, bins = 16 16 7 + 3 neighbor lists, perpetual/occasional/extra = 1 2 0 + (1) pair eam/alloy, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d/newton + bin: standard + (2) fix hyper/local, occasional + attributes: full, newton on, cut 10 + pair build: full/bin/atomonly + stencil: full/bin/3d + bin: standard + (3) fix hyper/local, occasional, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +Per MPI rank memory allocation (min/avg/max) = 6.666 | 6.666 | 6.666 Mbytes +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 0 388.66198 -13037.479 0 1 0 0 0.4 1 0 0 0 0 0 0 0 0 0 0 1e+20 0 0 0 0 0 0 0 0 0 0 1 0 + 77 388.66198 -13101.057 0 1 0 0 0.4 1 0 0 0 0 0 0 0 0 0 0 1e+20 0 0 0 0 0 0 1540 0 0 0 1 0 +Loop time of 0.179004 on 4 procs for 77 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 0 388.66198 -13037.479 2.1560984 0 7 0.19075508 0.4 0 0 0 5.9276206 1380.4406 0 0 0 0 3.2725891 0 1e+20 0 0 0 0 0 0 0 0 0 0 10345.205 0 + 100 398.83324 -13036.879 2.1057282 8397.3244 7 0.17605069 0.4 0.99370412 0.98222607 1.0036767 5.9276206 1380.4406 8029.3662 4.83 0 0 3.3896963 0.9967648 0.98222607 1.0036767 0 0 0 0 0 2000 0 0 0 8152.8259 0 +Loop time of 0.127003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 100 398.83324 -13036.879 2.1057282 8397.3244 7 0.17605069 0.4 0.99370412 0.98222607 1.0036767 5.9276206 1380.4406 8029.3662 4.83 0 0 3.3896963 0.9967648 0.98222607 1.0036767 0 0 0 0 0 2000 0 0 0 8152.8259 0 + 167 398.83324 -13101.057 2.1057282 8397.3244 7 0.17605069 0.4 0.99370412 0.98222607 1.0036767 5.9276206 1380.4406 8029.3662 2.8922156 0 0 3.3896963 0.9967648 0.98222607 1.0036767 0 0 0 0 0 3340 0 0 0 8152.8259 0 +Loop time of 0.127003 on 4 procs for 67 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 100 398.83324 -13036.879 2.1055533 8397.3244 7 0.17605069 0.4 0.99370412 0.98222607 1.0036767 5.9276206 1380.4406 8029.3662 4.83 0 0 3.3896963 0.9967648 0.98222607 1.0036767 0 0 0 0 0 2000 0 0 0 8129.9856 0 + 200 389.68041 -13036.5 1.3143359 4136.9005 6 0.31228203 0.4 0.99085481 0.96933773 1.0092702 5.9276206 1380.4406 6926.4597 5.43 0.035911602 0.00092081031 3.7338089 0.99450416 0.96933773 1.0092702 0 0 0 0 0 4000 0 0 0 3361.4715 1 +Loop time of 0.127003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 200 389.68041 -13036.5 1.3143359 4136.9005 6 0.31228203 0.4 0.99085481 0.96933773 1.0092702 5.9276206 1380.4406 6926.4597 5.43 0.035911602 0.00092081031 3.7338089 0.99450416 0.96933773 1.0092702 0 0 0 0 0 4000 0 0 0 3361.4715 1 + 270 389.68041 -13101.057 1.3143359 4136.9005 6 0.31228203 0.4 0.99085481 0.96933773 1.0092702 5.9276206 1380.4406 6926.4597 4.0222222 0.035911602 0.00092081031 3.7338089 0.99450416 0.96933773 1.0092702 0 0 0 0 0 5400 0 0 0 3361.4715 1 +Loop time of 0.134003 on 4 procs for 70 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 200 389.68041 -13036.5 1.3143057 4136.9005 6 0.31228203 0.4 0.99085481 0.96933773 1.0092702 5.9276206 1380.4406 6926.4597 5.43 0.035911602 0.00092081031 3.7338089 0.99450416 0.96933773 1.0092702 0 0 0 0 0 4000 0 0 0 3356.2384 1 + 300 410.34512 -13036.301 1.3677603 4656.4226 6 0.33838934 0.4 0.99110308 0.96057751 1.0154382 5.9276206 1380.4406 5898.0094 5.44 0.036764706 0.0006127451 3.7338089 0.9934181 0.96057751 1.0154382 0 0 0 0 0 6000 0 0 0 4213.1218 1 +Loop time of 0.129003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 300 410.34512 -13036.301 1.3677603 4656.4226 6 0.33838934 0.4 0.99110308 0.96057751 1.0154382 5.9276206 1380.4406 5898.0094 5.44 0.036764706 0.0006127451 3.7338089 0.9934181 0.96057751 1.0154382 0 0 0 0 0 6000 0 0 0 4213.1218 1 + 375 410.34512 -13101.057 1.3677603 4656.4226 6 0.33838934 0.4 0.99110308 0.96057751 1.0154382 5.9276206 1380.4406 5898.0094 4.352 0.036764706 0.0006127451 3.7338089 0.9934181 0.96057751 1.0154382 0 0 0 0 0 7500 0 0 0 4213.1218 1 +Loop time of 0.143004 on 4 procs for 75 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 300 410.34512 -13036.301 1.3677058 4656.4226 6 0.33838934 0.4 0.99110308 0.96057751 1.0154382 5.9276206 1380.4406 5898.0094 5.44 0.036764706 0.0006127451 3.7338089 0.9934181 0.96057751 1.0154382 0 0 0 0 0 6000 0 0 0 4207.0688 1 + 400 408.54896 -13036.835 1.090295 4172.0981 6 0.46750515 0.4 0.99130905 0.95644819 1.0207114 5.9276206 1380.4406 5390.5516 5.365 0.095060578 0.00046598322 3.9885296 0.9928942 0.95644819 1.0207114 0 0 0 0 0 8000 0 0 0 3865.6547 3 +Loop time of 0.126003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 400 408.54896 -13036.835 1.090295 4172.0981 6 0.46750515 0.4 0.99130905 0.95644819 1.0207114 5.9276206 1380.4406 5390.5516 5.365 0.095060578 0.00046598322 3.9885296 0.9928942 0.95644819 1.0207114 0 0 0 0 0 8000 0 0 0 3865.6547 3 + 471 408.54896 -13101.694 1.090295 4172.0981 6 0.46750515 0.4 0.99130905 0.95644819 1.0207114 5.9276206 1380.4406 5390.5516 4.5562633 0.095060578 0.00046598322 3.9885296 0.9928942 0.95644819 1.0207114 0 0 0 0 0 9420 0 0 0 3865.6547 3 +Loop time of 0.131003 on 4 procs for 71 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 400 408.54896 -13036.835 1.090341 4171.5126 6 0.33910027 0.4 0.99116994 0.95644819 1.0207114 5.9284526 1380.3372 5390.5516 5.365 0.095060578 0.00046598322 3.9885296 0.9928942 0.95644819 1.0207114 2.7381277 0 0 0 0 8000 1 1 3 3863.7908 2 + 500 408.04798 -13035.819 1.887274 2622.1876 8 0.25727119 0.4 0.99128739 0.95020853 1.0240862 5.9284526 1380.3372 5115.3824 5.63 0.077087034 0.00071047957 3.9885296 0.99251152 0.95020853 1.0240862 2.7381277 0 0 0 0 10000 1 1 3 4184.3452 0 +Loop time of 0.128003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 500 408.04798 -13035.819 1.887274 2622.1876 8 0.25727119 0.4 0.99128739 0.95020853 1.0240862 5.9284526 1380.3372 5115.3824 5.63 0.077087034 0.00071047957 3.9885296 0.99251152 0.95020853 1.0240862 2.7381277 0 0 0 0 10000 1 1 3 4184.3452 0 + 569 408.04798 -13101.694 1.887274 2622.1876 8 0.25727119 0.4 0.99128739 0.95020853 1.0240862 5.9284526 1380.3372 5115.3824 4.9472759 0.077087034 0.00071047957 3.9885296 0.99251152 0.95020853 1.0240862 2.7381277 0 0 0 0 11380 1 1 3 4184.3452 0 +Loop time of 0.135003 on 4 procs for 69 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 500 408.04798 -13035.819 1.8872278 2622.1876 8 0.25727119 0.4 0.99128739 0.95020853 1.0240862 5.9284526 1380.3372 5115.3824 5.63 0.077087034 0.00071047957 3.9885296 0.99251152 0.95020853 1.0240862 2.7381277 0 0 0 0 10000 1 1 3 4177.8105 0 + 600 419.0918 -13035.34 1.0950129 5050.5345 5 0.30933918 0.4 0.99315523 0.94243697 1.0303 5.9284526 1380.3372 4730.2494 5.7483333 0.082052769 0.00057987823 4.0620002 0.99251861 0.94243697 1.0303 2.7381277 0 0 0 0 12000 1 1 3 4375.7612 1 +Loop time of 0.128003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 600 419.0918 -13035.34 1.0950129 5050.5345 5 0.30933918 0.4 0.99315523 0.94243697 1.0303 5.9284526 1380.3372 4730.2494 5.7483333 0.082052769 0.00057987823 4.0620002 0.99251861 0.94243697 1.0303 2.7381277 0 0 0 0 12000 1 1 3 4375.7612 1 + 669 419.0918 -13101.694 1.0950129 5050.5345 5 0.30933918 0.4 0.99315523 0.94243697 1.0303 5.9284526 1380.3372 4730.2494 5.1554559 0.082052769 0.00057987823 4.0620002 0.99251861 0.94243697 1.0303 2.7381277 0 0 0 0 13380 1 1 3 4375.7612 1 +Loop time of 0.131003 on 4 procs for 69 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 600 419.0918 -13035.34 1.0949592 5050.5345 5 0.30933918 0.4 0.99315523 0.94243697 1.0303 5.9284526 1380.3372 4730.2494 5.7483333 0.082052769 0.00057987823 4.0620002 0.99251861 0.94243697 1.0303 2.7381277 0 0 0 0 12000 1 1 3 4366.2434 1 + 700 404.99792 -13038.375 1.7496634 5457.7386 6 0.20603012 0.4 0.99311471 0.93767338 1.0364661 5.9284526 1380.3372 4629.6326 5.7757143 0.077170418 0.00049468217 4.0620002 0.99261201 0.93732488 1.0364661 2.7381277 0 0 0 0 14000 1 1 3 5897.4776 0 +Loop time of 0.128003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 700 404.99792 -13038.375 1.7496634 5457.7386 6 0.20603012 0.4 0.99311471 0.93767338 1.0364661 5.9284526 1380.3372 4629.6326 5.7757143 0.077170418 0.00049468217 4.0620002 0.99261201 0.93732488 1.0364661 2.7381277 0 0 0 0 14000 1 1 3 5897.4776 0 + 775 404.99792 -13101.694 1.7496634 5457.7386 6 0.20603012 0.4 0.99311471 0.93767338 1.0364661 5.9284526 1380.3372 4629.6326 5.2167742 0.077170418 0.00049468217 4.0620002 0.99261201 0.93732488 1.0364661 2.7381277 0 0 0 0 15500 1 1 3 5897.4776 0 +Loop time of 0.166004 on 4 procs for 75 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 700 404.99792 -13038.375 1.7495648 5457.7386 6 0.20603012 0.4 0.99311471 0.93767338 1.0364661 5.9284526 1380.3372 4629.6326 5.7757143 0.077170418 0.00049468217 4.0620002 0.99261201 0.93732488 1.0364661 2.7381277 0 0 0 0 14000 1 1 3 5888.5728 0 + 800 421.10795 -13037.462 1.8512835 3051.7064 8 0.31933951 0.4 0.9902351 0.93814672 1.0426311 5.9284526 1380.3372 4781.2974 5.8125 0.070322581 0.00043010753 4.0620002 0.99242754 0.93732488 1.0426311 2.7381277 0 0 0 0 16000 1 1 3 3122.0342 1 +Loop time of 0.245005 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 800 421.10795 -13037.462 1.8512835 3051.7064 8 0.31933951 0.4 0.9902351 0.93814672 1.0426311 5.9284526 1380.3372 4781.2974 5.8125 0.070322581 0.00043010753 4.0620002 0.99242754 0.93732488 1.0426311 2.7381277 0 0 0 0 16000 1 1 3 3122.0342 1 + 869 421.10795 -13101.694 1.8512835 3051.7064 8 0.31933951 0.4 0.9902351 0.93814672 1.0426311 5.9284526 1380.3372 4781.2974 5.3509781 0.070322581 0.00043010753 4.0620002 0.99242754 0.93732488 1.0426311 2.7381277 0 0 0 0 17380 1 1 3 3122.0342 1 +Loop time of 0.180005 on 4 procs for 69 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 800 421.10795 -13037.462 1.8512626 3051.7064 8 0.31933951 0.4 0.9902351 0.93814672 1.0426311 5.9284526 1380.3372 4781.2974 5.8125 0.070322581 0.00043010753 4.0620002 0.99242754 0.93732488 1.0426311 2.7381277 0 0 0 0 16000 1 1 3 3118.9745 1 + 900 424.48211 -13036.231 1.5461807 1757.5544 7 0.25079261 0.4 0.99160613 0.94071212 1.0485957 5.9284526 1380.3372 4596.991 5.8511111 0.073300418 0.00037979491 4.0620002 0.99224254 0.93732488 1.0485957 2.7381277 0 0 0 0 18000 1 1 3 1803.828 0 +Loop time of 0.158003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 900 424.48211 -13036.231 1.5461807 1757.5544 7 0.25079261 0.4 0.99160613 0.94071212 1.0485957 5.9284526 1380.3372 4596.991 5.8511111 0.073300418 0.00037979491 4.0620002 0.99224254 0.93732488 1.0485957 2.7381277 0 0 0 0 18000 1 1 3 1803.828 0 + 969 424.48211 -13101.694 1.5461807 1757.5544 7 0.25079261 0.4 0.99160613 0.94071212 1.0485957 5.9284526 1380.3372 4596.991 5.4344685 0.073300418 0.00037979491 4.0620002 0.99224254 0.93732488 1.0485957 2.7381277 0 0 0 0 19380 1 1 3 1803.828 0 +Loop time of 0.165004 on 4 procs for 69 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 900 424.48211 -13036.231 1.5462201 1757.5544 7 0.25079261 0.4 0.99160613 0.94071212 1.0485957 5.9284526 1380.3372 4596.991 5.8511111 0.073300418 0.00037979491 4.0620002 0.99224254 0.93732488 1.0485957 2.7381277 0 0 0 0 18000 1 1 3 1803.5841 0 + 1000 392.14281 -13033.226 1.3114425 4884.4012 6 0.28781471 0.4 0.99342697 0.93855058 1.0449678 5.9284526 1380.3372 4420.7581 5.862 0.076765609 0.00034118048 4.0620002 0.99230204 0.93732488 1.0514799 2.7381277 0 0 0 0 20000 1 1 3 6648.5089 0 +Loop time of 0.159004 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1000 392.14281 -13033.226 1.3114425 4884.4012 6 0.28781471 0.4 0.99342697 0.93855058 1.0449678 5.9284526 1380.3372 4420.7581 5.862 0.076765609 0.00034118048 4.0620002 0.99230204 0.93732488 1.0514799 2.7381277 0 0 0 0 20000 1 1 3 6648.5089 0 + 1070 392.14281 -13101.694 1.3114425 4884.4012 6 0.28781471 0.4 0.99342697 0.93855058 1.0449678 5.9284526 1380.3372 4420.7581 5.4785047 0.076765609 0.00034118048 4.0620002 0.99230204 0.93732488 1.0514799 2.7381277 0 0 0 0 21400 1 1 3 6648.5089 0 +Loop time of 0.167004 on 4 procs for 70 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1000 392.14281 -13033.226 1.3113308 4884.4012 6 0.28781471 0.4 0.99342697 0.93855058 1.0449678 5.9284526 1380.3372 4420.7581 5.862 0.076765609 0.00034118048 4.0620002 0.99230204 0.93732488 1.0514799 2.7381277 0 0 0 0 20000 1 1 3 6627.3707 0 + 1100 403.51397 -13035.66 0.54686506 3968.0952 5 0.36081738 0.4 0.99442104 0.93685489 1.0457452 5.9284526 1380.3372 4324.6709 5.89 0.077944127 0.00030868961 4.0620002 0.99241625 0.93604385 1.0514799 2.7381277 0 0 0 0 22000 1 1 3 1724.5221 2 +Loop time of 0.143003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1100 403.51397 -13035.66 0.54686506 3968.0952 5 0.36081738 0.4 0.99442104 0.93685489 1.0457452 5.9284526 1380.3372 4324.6709 5.89 0.077944127 0.00030868961 4.0620002 0.99241625 0.93604385 1.0514799 2.7381277 0 0 0 0 22000 1 1 3 1724.5221 2 + 1170 403.51397 -13101.694 0.54686506 3968.0952 5 0.36081738 0.4 0.99442104 0.93685489 1.0457452 5.9284526 1380.3372 4324.6709 5.5376068 0.077944127 0.00030868961 4.0620002 0.99241625 0.93604385 1.0514799 2.7381277 0 0 0 0 23400 1 1 3 1724.5221 2 +Loop time of 0.134003 on 4 procs for 70 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1100 403.51397 -13035.66 0.54686188 3968.0952 5 0.36081738 0.4 0.99442104 0.93685489 1.0457452 5.9284526 1380.3372 4324.6709 5.89 0.077944127 0.00030868961 4.0620002 0.99241625 0.93604385 1.0514799 2.7381277 0 0 0 0 22000 1 1 3 1722.7748 2 + 1200 407.58933 -13037.757 0.83605065 5192.3954 5 0.3055123 0.4 0.99647568 0.93650885 1.0519936 5.9284526 1380.3372 4188.034 5.8883333 0.092838947 0.0022643646 4.0620002 0.99266277 0.9344152 1.0519936 2.7381277 0 0 0 0 24000 1 1 3 3708.6014 1 +Loop time of 0.127003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1200 407.58933 -13037.757 0.83605065 5192.3954 5 0.3055123 0.4 0.99647568 0.93650885 1.0519936 5.9284526 1380.3372 4188.034 5.8883333 0.092838947 0.0022643646 4.0620002 0.99266277 0.9344152 1.0519936 2.7381277 0 0 0 0 24000 1 1 3 3708.6014 1 + 1275 407.58933 -13101.694 0.83605065 5192.3954 5 0.3055123 0.4 0.99647568 0.93650885 1.0519936 5.9284526 1380.3372 4188.034 5.5419608 0.092838947 0.0022643646 4.0620002 0.99266277 0.9344152 1.0519936 2.7381277 0 0 0 0 25500 1 1 3 3708.6014 1 +Loop time of 0.147004 on 4 procs for 75 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1200 407.58933 -13037.757 0.83600436 5192.3954 5 0.3055123 0.4 0.99647568 0.93650885 1.0519936 5.9284526 1380.3372 4188.034 5.8883333 0.092838947 0.0022643646 4.0620002 0.99266277 0.9344152 1.0519936 2.7381277 0 0 0 0 24000 1 1 3 3695.4259 1 + 1300 397.34752 -13035.27 1.143529 3889.5642 6 0.59455796 0.4 0.99734951 0.93577374 1.0582257 5.9284526 1380.3372 4130.5503 5.9123077 0.094977882 0.002081707 4.1048198 0.99297572 0.9344152 1.0582257 2.7381277 0 0 0 0 26000 1 1 3 2236.4525 2 +Loop time of 0.129003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1300 397.34752 -13035.27 1.143529 3889.5642 6 0.59455796 0.4 0.99734951 0.93577374 1.0582257 5.9284526 1380.3372 4130.5503 5.9123077 0.094977882 0.002081707 4.1048198 0.99297572 0.9344152 1.0582257 2.7381277 0 0 0 0 26000 1 1 3 2236.4525 2 + 1379 397.34752 -13102.882 1.143529 3889.5642 6 0.59455796 0.4 0.99734951 0.93577374 1.0582257 5.9284526 1380.3372 4130.5503 5.5736041 0.094977882 0.002081707 4.1048198 0.99297572 0.9344152 1.0582257 2.7381277 0 0 0 0 27580 1 1 3 2236.4525 2 +Loop time of 0.130003 on 4 procs for 79 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1300 397.34752 -13035.27 0.8513344 3888.4728 5 0.43479061 0.4 0.99706967 0.93577374 1.0582257 5.9301165 1379.4348 4130.5503 5.9123077 0.094977882 0.002081707 4.1048198 0.99297572 0.9344152 1.0582257 2.7473869 0 0 0 0 26000 2 2 7 1674.6282 2 + 1400 406.75788 -13035.822 0.98339012 2583.5703 5 0.26687439 0.4 0.99725016 0.93341809 1.0565516 5.9301165 1379.4348 4125.2065 5.9 0.09503632 0.001937046 4.1048198 0.99327179 0.93335055 1.0582257 2.7473869 0 0 0 0 28000 2 2 7 1900.8002 0 +Loop time of 0.145003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1400 406.75788 -13035.822 0.98339012 2583.5703 5 0.26687439 0.4 0.99725016 0.93341809 1.0565516 5.9301165 1379.4348 4125.2065 5.9 0.09503632 0.001937046 4.1048198 0.99327179 0.93335055 1.0582257 2.7473869 0 0 0 0 28000 2 2 7 1900.8002 0 + 1471 406.75788 -13102.882 0.98339012 2583.5703 5 0.26687439 0.4 0.99725016 0.93341809 1.0565516 5.9301165 1379.4348 4125.2065 5.6152277 0.09503632 0.001937046 4.1048198 0.99327179 0.93335055 1.0582257 2.7473869 0 0 0 0 29420 2 2 7 1900.8002 0 +Loop time of 0.134003 on 4 procs for 71 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1400 406.75788 -13035.822 0.98339747 2583.5703 5 0.26687439 0.4 0.99725016 0.93341809 1.0565516 5.9301165 1379.4348 4125.2065 5.9 0.09503632 0.001937046 4.1048198 0.99327179 0.93335055 1.0582257 2.7473869 0 0 0 0 28000 2 2 7 1898.7054 0 + 1500 403.04712 -13038.033 1.7734093 2587.2539 8 0.26021596 0.4 0.99949004 0.93136824 1.0627109 5.9301165 1379.4348 4021.2913 5.914 0.094465111 0.0018036298 4.1048198 0.99360825 0.93115568 1.0627109 2.7473869 0 0 0 0 30000 2 2 7 4239.5287 0 +Loop time of 0.124003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1500 403.04712 -13038.033 1.7734093 2587.2539 8 0.26021596 0.4 0.99949004 0.93136824 1.0627109 5.9301165 1379.4348 4021.2913 5.914 0.094465111 0.0018036298 4.1048198 0.99360825 0.93115568 1.0627109 2.7473869 0 0 0 0 30000 2 2 7 4239.5287 0 + 1568 403.04712 -13102.882 1.7734093 2587.2539 8 0.26021596 0.4 0.99949004 0.93136824 1.0627109 5.9301165 1379.4348 4021.2913 5.6575255 0.094465111 0.0018036298 4.1048198 0.99360825 0.93115568 1.0627109 2.7473869 0 0 0 0 31360 2 2 7 4239.5287 0 +Loop time of 0.135003 on 4 procs for 68 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1500 403.04712 -13038.033 1.7733495 2587.2539 8 0.26021596 0.4 0.99949004 0.93136824 1.0627109 5.9301165 1379.4348 4021.2913 5.914 0.094465111 0.0018036298 4.1048198 0.99360825 0.93115568 1.0627109 2.7473869 0 0 0 0 30000 2 2 7 4227.4184 0 + 1600 413.63587 -13039.863 0.67705876 2150.6698 5 0.32653141 0.4 1.0004587 0.9309105 1.06525 5.9301165 1379.4348 3981.2133 5.93375 0.090478197 0.0016852749 4.1048198 0.99397193 0.92879897 1.06525 2.7473869 0 0 0 0 32000 2 2 7 822.48747 1 +Loop time of 0.132003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1600 413.63587 -13039.863 0.67705876 2150.6698 5 0.32653141 0.4 1.0004587 0.9309105 1.06525 5.9301165 1379.4348 3981.2133 5.93375 0.090478197 0.0016852749 4.1048198 0.99397193 0.92879897 1.06525 2.7473869 0 0 0 0 32000 2 2 7 822.48747 1 + 1669 413.63587 -13102.882 0.67705876 2150.6698 5 0.32653141 0.4 1.0004587 0.9309105 1.06525 5.9301165 1379.4348 3981.2133 5.6884362 0.090478197 0.0016852749 4.1048198 0.99397193 0.92879897 1.06525 2.7473869 0 0 0 0 33380 2 2 7 822.48747 1 +Loop time of 0.135003 on 4 procs for 69 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1600 413.63587 -13039.863 0.67707996 2150.6698 5 0.32653141 0.4 1.0004587 0.9309105 1.06525 5.9301165 1379.4348 3981.2133 5.93375 0.090478197 0.0016852749 4.1048198 0.99397193 0.92879897 1.06525 2.7473869 0 0 0 0 32000 2 2 7 822.44597 1 + 1700 410.04422 -13040.035 1.0190943 1598.6072 7 0.29206253 0.4 1.0030056 0.92869822 1.0714971 5.9301165 1379.4348 3886.4362 5.9435294 0.093527316 0.0015835313 4.1048198 0.99441728 0.92869822 1.0714971 2.7473869 0 0 0 0 34000 2 2 7 1041.7855 0 +Loop time of 0.129003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1700 410.04422 -13040.035 1.0190943 1598.6072 7 0.29206253 0.4 1.0030056 0.92869822 1.0714971 5.9301165 1379.4348 3886.4362 5.9435294 0.093527316 0.0015835313 4.1048198 0.99441728 0.92869822 1.0714971 2.7473869 0 0 0 0 34000 2 2 7 1041.7855 0 + 1770 410.04422 -13102.882 1.0190943 1598.6072 7 0.29206253 0.4 1.0030056 0.92869822 1.0714971 5.9301165 1379.4348 3886.4362 5.7084746 0.093527316 0.0015835313 4.1048198 0.99441728 0.92869822 1.0714971 2.7473869 0 0 0 0 35400 2 2 7 1041.7855 0 +Loop time of 0.145004 on 4 procs for 70 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1700 410.04422 -13040.035 1.0191295 1598.6072 7 0.29206253 0.4 1.0030056 0.92869822 1.0714971 5.9301165 1379.4348 3886.4362 5.9435294 0.093527316 0.0015835313 4.1048198 0.99441728 0.92869822 1.0714971 2.7473869 0 0 0 0 34000 2 2 7 1041.6898 0 + 1800 413.56333 -13039.872 1.6705072 5357.337 7 0.28802305 0.4 1.0045556 0.92823157 1.0777313 5.9301165 1379.4348 3837.633 5.9366667 0.095545574 0.0014972862 4.1048198 0.99496874 0.92821036 1.0777313 2.7473869 0 0 0 0 36000 2 2 7 7008.708 0 +Loop time of 0.157003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1800 413.56333 -13039.872 1.6705072 5357.337 7 0.28802305 0.4 1.0045556 0.92823157 1.0777313 5.9301165 1379.4348 3837.633 5.9366667 0.095545574 0.0014972862 4.1048198 0.99496874 0.92821036 1.0777313 2.7473869 0 0 0 0 36000 2 2 7 7008.708 0 + 1868 413.56333 -13102.882 1.6705072 5357.337 7 0.28802305 0.4 1.0045556 0.92823157 1.0777313 5.9301165 1379.4348 3837.633 5.7205567 0.095545574 0.0014972862 4.1048198 0.99496874 0.92821036 1.0777313 2.7473869 0 0 0 0 37360 2 2 7 7008.708 0 +Loop time of 0.143003 on 4 procs for 68 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1800 413.56333 -13039.872 1.6703547 5357.337 7 0.28802305 0.4 1.0045556 0.92823157 1.0777313 5.9301165 1379.4348 3837.633 5.9366667 0.095545574 0.0014972862 4.1048198 0.99496874 0.92821036 1.0777313 2.7473869 0 0 0 0 36000 2 2 7 6990.9088 0 + 1900 389.96327 -13036.384 0.50418526 2970.8471 5 0.2897091 0.4 1.0069357 0.92635421 1.083738 5.9301165 1379.4348 3766.0095 5.9652632 0.092376919 0.0014116817 4.1048198 0.9955231 0.92635421 1.083738 2.7473869 0 0 0 0 38000 2 2 7 102.84786 0 +Loop time of 0.161004 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1900 389.96327 -13036.384 0.50418526 2970.8471 5 0.2897091 0.4 1.0069357 0.92635421 1.083738 5.9301165 1379.4348 3766.0095 5.9652632 0.092376919 0.0014116817 4.1048198 0.9955231 0.92635421 1.083738 2.7473869 0 0 0 0 38000 2 2 7 102.84786 0 + 1970 389.96327 -13102.882 0.50418526 2970.8471 5 0.2897091 0.4 1.0069357 0.92635421 1.083738 5.9301165 1379.4348 3766.0095 5.7532995 0.092376919 0.0014116817 4.1048198 0.9955231 0.92635421 1.083738 2.7473869 0 0 0 0 39400 2 2 7 102.84786 0 +Loop time of 0.221005 on 4 procs for 70 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 1900 389.96327 -13036.384 0.50421483 2970.8471 5 0.2897091 0.4 1.0069357 0.92635421 1.083738 5.9301165 1379.4348 3766.0095 5.9652632 0.092376919 0.0014116817 4.1048198 0.9955231 0.92635421 1.083738 2.7473869 0 0 0 0 38000 2 2 7 102.91265 0 + 2000 397.57054 -13037.793 1.296998 2702.0288 7 0.3344139 0.4 1.0080872 0.9254519 1.089981 5.9301165 1379.4348 3740.858 5.9815 0.094708685 0.0013374572 4.1048198 0.99612398 0.9252451 1.089981 2.7473869 0 0 0 0 40000 2 2 7 2970.9196 1 +Loop time of 0.125003 on 4 procs for 100 steps with 2354 atoms + +Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] + 2000 397.57054 -13037.793 1.296998 2702.0288 7 0.3344139 0.4 1.0080872 0.9254519 1.089981 5.9301165 1379.4348 3740.858 5.9815 0.094708685 0.0013374572 4.1048198 0.99612398 0.9252451 1.089981 2.7473869 0 0 0 0 40000 2 2 7 2970.9196 1 + 2074 397.57054 -13102.882 1.296998 2702.0288 7 0.3344139 0.4 1.0080872 0.9254519 1.089981 5.9301165 1379.4348 3740.858 5.768081 0.094708685 0.0013374572 4.1048198 0.99612398 0.9252451 1.089981 2.7473869 0 0 0 0 41480 2 2 7 2970.9196 1 +Loop time of 0.138003 on 4 procs for 74 steps with 2354 atoms + +Final hyper stats ... + +Cummulative quantities for fix hyper: + hyper time = 40000 + time boost factor = 4000 + event timesteps = 2 + # of atoms in events = 2 +Quantities for this hyper run: + event timesteps = 2 + # of atoms in events = 2 + max length of any bond = 4.10482 + max drift distance of any atom = 2.74739 + fraction of biased bonds with zero bias = 0.0947087 + fraction of biased bonds with negative strain = 0.00133746 +Current quantities: + ave bonds/atom = 5.93012 +Cummulative quantities specific to fix hyper/local: + # of new bonds formed = 7 + max bonds/atom = 12 +Quantities for this hyper run specific to fix hyper/local: + ave boost for all bonds/step = 3740.86 + ave biased bonds/step = 5.9815 + ave bias coeff of all bonds = 0.996124 + min bias coeff of any bond = 0.925245 + max bias coeff of any bond = 1.08998 + max dist from my subbox of any non-maxstrain bond ghost atom = 0 + max dist from my box of any bond ghost atom = 0 + count of bond ghost neighbors not found on reneighbor steps = 0 + bias overlaps = 0 + CPU time for bond builds = 0.00900006 +Current quantities specific to fix hyper/local: + neighbor bonds/bond = 1379.43 + ave boost coeff for all bonds = 1.00809 + +Loop time of 6.39915 on 4 procs for 2000 steps with 2354 atoms + +Performance: 135.018 ns/day, 0.178 hours/ns, 312.542 timesteps/s +124.8% CPU use with 4 MPI tasks x no OpenMP threads + +Hyper stats: + Dynamics time (%) = 2.82706 (44.1788) + Quench time (%) = 2.94107 (45.9603) + Other time (%) = 0.559511 (8.74353) + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 4.2581 | 4.3754 | 4.4861 | 4.4 | 68.37 +Neigh | 0.165 | 0.171 | 0.178 | 1.1 | 2.67 +Comm | 0.40501 | 0.50426 | 0.58801 | 9.7 | 7.88 +Output | 0 | 0.00049996 | 0.0019999 | 0.0 | 0.01 +Modify | 0.74901 | 0.78851 | 0.82701 | 3.4 | 12.32 +Other | | 0.5595 | | | 8.74 + +Nlocal: 588.5 ave 610 max 570 min +Histogram: 1 0 0 0 2 0 0 0 0 1 +Nghost: 1965.75 ave 1984 max 1944 min +Histogram: 1 0 0 0 0 1 1 0 0 1 +Neighs: 13783.2 ave 14264 max 13396 min +Histogram: 1 0 0 1 1 0 0 0 0 1 +FullNghs: 136894 ave 139463 max 134036 min +Histogram: 1 0 0 0 1 0 1 0 0 1 + +Total # of neighbors = 547576 +Ave neighs/atom = 232.615 +Neighbor list builds = 192 +Dangerous builds = 0 +Total wall time: 0:00:08