diff --git a/doc/src/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
index e4cbc42c7f60792de32354b432db07901b8b7844..b8e5cf07da33572bc386a7735b2fecb130076577 100644
--- a/doc/src/fix_hyper_local.txt
+++ b/doc/src/fix_hyper_local.txt
@@ -216,6 +216,21 @@ each pair. E.g. something like 2x the cutoff of the interatomic
potential. In practice a {Dcut} value of ~10 Angstroms seems to work
well for many solid-state systems.
+NOTE: You must also insure that ghost atom communication is performed
+for a distance of at least {Dcut} + {cutevent} where {cutevent} = the
+distance one or more atoms move (between quenched states) to be
+considered an "event". It is an argument to the "compute
+event/displace" command used to detect events. By default the ghost
+communication distance is set by the pair_style cutoff, which will
+typically be < {Dcut}. The "comm_modify cutoff"_comm_modify.html
+command can be used to set the ghost cutoff explicitly, e.g.
+
+comm_modify cutoff 12.0 :pre
+
+This fix does not know the {cutevent} parameter, but uses half the
+bond length as an estimate to warn if the ghost cutoff is not long
+enough.
+
As described above the {alpha} argument is a pre-factor in the
boostostat update equation for each bond's Cij prefactor. {Alpha} is
specified in time units, similar to other thermostat or barostat
diff --git a/doc/src/hyper.txt b/doc/src/hyper.txt
index e862af22353dcad5db75a2728ca873c566130d0c..936fb665d360a9311e2cb37b83b227a189285b08 100644
--- a/doc/src/hyper.txt
+++ b/doc/src/hyper.txt
@@ -17,15 +17,12 @@ Nevent = check for events every this many steps :l
fix-ID = ID of a fix that applies a global or local bias potential, can be NULL :l
compute-ID = ID of a compute that identifies when an event has occurred :l
zero or more keyword/value pairs may be appended :l
-keyword = {min} or {time} or {dump} or {rebond} :l
+keyword = {min} or {dump} or {rebond} :l
{min} values = etol ftol maxiter maxeval
etol = stopping tolerance for energy, used in quenching
ftol = stopping tolerance for force, used in quenching
maxiter = max iterations of minimize, used in quenching
maxeval = max number of force/energy evaluations, used in quenching
- {time} value = {steps} or {clock}
- {steps} = simulation runs for N timesteps (default)
- {clock} = simulation runs until hyper time exceeds N timesteps
{dump} value = dump-ID
dump-ID = ID of dump to trigger whenever an event takes place
{rebond} value = Nrebond
@@ -73,9 +70,8 @@ that each timestep is effectively longer. PRD creates Nr replicas of
the system and runs dynamics on each independently with a normal
unbiased potential until an event occurs in one of the replicas. The
time between events is reduced by a factor of Nr replicas. For both
-methods, per wall-clock second, more physical time elapses and more
-events occur. See the "prd"_prd.html doc page for more info about
-PRD.
+methods, per CPU second, more physical time elapses and more events
+occur. See the "prd"_prd.html doc page for more info about PRD.
An HD run has several stages, which are repeated each time an "event"
occurs, as explained below. The logic for an HD run is as follows:
@@ -146,14 +142,6 @@ As explained above, the {min} keyword can be used to specify
parameters for the quench. Their meaning is the same
as for the "minimize"_minimize.html command
-The {time} keyword determines how the {N} timesteps argument is
-interpreted. If {time} is set to {steps}, then hyperdynamics is run
-for {N} timesteps. If the time acceleration provided by the bias
-potential is 10x, then that is the same as running a normal (unbiased)
-MD simulation for 10N steps. If {time} is set to {clock}, then
-hyperdynamics would run for N/10 steps, since that would correspond to
-an elapsed real time of N*dt.
-
The {dump} keyword can be used to trigger a specific dump command with
the specified {dump-ID} to output a snapshot each time an event is
detected. It can be specified multiple times with different {dump-ID}
diff --git a/doc/src/prd.txt b/doc/src/prd.txt
index 43c0d309c8f9138963782883867f5510ae4f4ef3..e1d6fc1b4ef83b727e1c6941b9ecd7cf1e8cd0fb 100644
--- a/doc/src/prd.txt
+++ b/doc/src/prd.txt
@@ -70,9 +70,8 @@ an event occurs in one of the replicas. The time between events is
reduced by a factor of Nr replicas. HD uses a single replica of the
system and accelerates time by biasing the interaction potential in a
manner such that each timestep is effectively longer. For both
-methods, per wall-clock second, more physical time elapses and more
-events occur. See the "hyper"_hyper.html doc page for more info about
-HD.
+methods, per CPU second, more physical time elapses and more events
+occur. See the "hyper"_hyper.html doc page for more info about HD.
In PRD, each replica runs on a partition of one or more processors.
Processor partitions are defined at run-time using the "-partition
diff --git a/examples/hyper/global.000000.jpg b/examples/hyper/global.000000.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..b462983f6a950954a8606f3cf4dfdbcc0ca6ff96
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diff --git a/examples/hyper/global.003000.jpg b/examples/hyper/global.003000.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..ef28d78d78a6bfa8e46804ed1a0d4634a7866ea6
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diff --git a/examples/hyper/global.038000.jpg b/examples/hyper/global.038000.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..444531312b457e21250706e9564de38a3bfde4b2
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diff --git a/examples/hyper/global.059000.jpg b/examples/hyper/global.059000.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..b77a9e3454a3de55e2d4f69843fbd1518082d9ab
Binary files /dev/null and b/examples/hyper/global.059000.jpg differ
diff --git a/examples/hyper/in.hyper.global b/examples/hyper/in.hyper.global
index 8d770a1afb9fe82088a5f3f7ce843d64cdac8537..22b3b4251b56b6509b3bff59247840c9664129ee 100644
--- a/examples/hyper/in.hyper.global
+++ b/examples/hyper/in.hyper.global
@@ -4,12 +4,13 @@
# hop event on (100) surface is same distance
# exchange event is 2 atoms moving same distance
-variable Tequil index 800.0
-variable Vmax index 0.3
+variable Tequil index 500.0
+variable Vmax index 0.5
variable qfactor index 0.3
variable cutbond index 3.2
variable cutevent index 1.1
-variable steps index 1000
+variable steps index 100000
+variable nevent index 1000
variable zoom index 1.8
units metal
@@ -44,7 +45,7 @@ neighbor 0.5 bin
neigh_modify every 1 delay 5 check yes
fix 1 mobile nve
-fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 4879387 zero yes
+fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 858872873 zero yes
timestep 0.005
@@ -72,14 +73,12 @@ fix HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
# thermo output
-thermo_style custom step temp pe 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]
+thermo_style custom step temp pe f_HG f_HG[*]
thermo_modify lost ignore
thermo_modify temp tmobile
-thermo 100
+thermo ${nevent}
# dump output options
@@ -87,13 +86,10 @@ 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 custom 10000000 dump.* id type x y z
-dump_modify 1 pad 6
-
-dump 5 all image 10000000 static.*.ppm v_acolor type &
+dump 1 all image 1000000 global.*.jpg v_acolor type &
zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
-dump_modify 5 pad 9 amap 1 3 sa 1 3 blue red green
+dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green
# run
-hyper ${steps} 100 HG event min 1.0e-6 1.0e-6 100 100 dump 1 dump 5
+hyper ${steps} ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
diff --git a/examples/hyper/in.hyper.local b/examples/hyper/in.hyper.local
index 02635e634f0831ea0aaa720518c43d3f41981338..ef8ed4d042a5a1516fae9a2d70f8bdc590005473 100644
--- a/examples/hyper/in.hyper.local
+++ b/examples/hyper/in.hyper.local
@@ -4,22 +4,23 @@
# hop event on (100) surface is same distance
# exchange event is 2 atoms moving same distance
-variable Tequil index 800.0
-variable Vmax index 0.3
+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 100.0
+variable boost index 4000.0
variable ghostcut index 12.0
-variable steps index 1000
-variable nx index 1
-variable ny index 1
+variable steps index 1500
+variable nevent index 100
+variable nx index 8
+variable ny index 8
variable zoom index 1.8
-variable seed index 59830932
+variable seed index 826626413
variable tol index 1.0e-15
-variable add index 184
+variable add index 37K
units metal
atom_style atomic
@@ -89,31 +90,23 @@ fix HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil} &
# thermo output
-thermo_style custom step temp pe 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]
+thermo_style custom step temp pe f_HL f_HL[*]
thermo_modify lost ignore
thermo_modify temp tmobile
-thermo 100
+thermo ${nevent}
# dump
-write_dump all custom dump.initial id type x y z
+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)
-variable Dhop equal 0.1
-variable check atom "c_dsp[4] > v_Dhop"
-compute dsp all displace/atom refresh check
-
-dump 1 all custom 1000000000 dump.* id type x y z
-dump_modify 1 pad 6 thresh c_dsp[4] > ${Dhop} refresh c_dsp
-
-dump 5 all image 10000000 static.*.ppm v_acolor type &
+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 5 pad 6 amap 1 3 sa 1 3 blue red green
+dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green
# run
-hyper ${steps} 100 HL event min ${tol} ${tol} 1000 1000 dump 1
+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
new file mode 100644
index 0000000000000000000000000000000000000000..ef0ec0cd59adaf184019cafa7fa00746be5828fb
Binary files /dev/null and b/examples/hyper/local.000000.jpg differ
diff --git a/examples/hyper/local.000700.jpg b/examples/hyper/local.000700.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..e1e61dd6aa242cff2f12d7f2517c630f62631ccf
Binary files /dev/null and b/examples/hyper/local.000700.jpg differ
diff --git a/examples/hyper/local.000800.jpg b/examples/hyper/local.000800.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..a1e2fbc66a0ac986543bdedbaed05b9afd748091
Binary files /dev/null and b/examples/hyper/local.000800.jpg differ
diff --git a/examples/hyper/local.001100.jpg b/examples/hyper/local.001100.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..dea7fd4eafd214fc055036e6e6f3e80a60189059
Binary files /dev/null and b/examples/hyper/local.001100.jpg differ
diff --git a/examples/hyper/log.hyper.global.g++.4 b/examples/hyper/log.hyper.global.g++.4
new file mode 100644
index 0000000000000000000000000000000000000000..de085415838b8c2822abd62abb4ceccff0e316ee
--- /dev/null
+++ b/examples/hyper/log.hyper.global.g++.4
@@ -0,0 +1,1243 @@
+LAMMPS (10 Oct 2018)
+# 3d EAM surface for global 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 500.0
+variable Vmax index 0.5
+variable qfactor index 0.3
+variable cutbond index 3.2
+variable cutevent index 1.1
+variable steps index 100000
+variable nevent index 1000
+variable zoom index 1.8
+
+units metal
+atom_style atomic
+atom_modify map array
+boundary p p p
+
+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 3 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
+ Time spent = 0.000782013 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)
+create_atoms 2 single 3.5 3.5 4
+Created 1 atoms
+ Time spent = 4.69685e-05 secs
+
+# define frozen substrate and mobile atoms
+
+group adatom type 2
+1 atoms in group adatom
+region base block INF INF INF INF 0 1.8
+set region base type 3
+ 288 settings made for type
+group base type 3
+288 atoms in group base
+group mobile type 1 2
+289 atoms in group mobile
+
+# pair style
+
+pair_style eam/alloy
+pair_coeff * * ptvoterlammps.eam Pt 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 858872873 zero yes
+fix 2 mobile langevin 500.0 ${Tequil} 1.0 858872873 zero yes
+fix 2 mobile langevin 500.0 500.0 1.0 858872873 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:488)
+
+# 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 = 6.07583
+ binsize = 3.03792, bins = 8 8 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) = 3.327 | 3.327 | 3.327 Mbytes
+Step Temp E_pair E_mol TotEng Press
+ 0 0 -3213.9136 0 -3213.9136 -51843.125
+ 100 211.06271 -3209.3285 0 -3201.4713 -27323.825
+ 200 320.80707 -3205.3715 0 -3193.4289 -39370.402
+ 300 393.66139 -3202.607 0 -3187.9522 -32163.403
+ 400 401.11987 -3200.2795 0 -3185.347 -35961.543
+ 500 472.27798 -3200.7267 0 -3183.1452 -33044.974
+ 600 485.16253 -3199.818 0 -3181.7569 -34242.615
+ 700 464.85129 -3199.865 0 -3182.56 -35327.179
+ 800 518.91236 -3199.4098 0 -3180.0923 -32088.2
+ 900 502.76061 -3199.3972 0 -3180.681 -36944.263
+ 1000 522.64479 -3200.0627 0 -3180.6063 -32801.856
+Loop time of 0.333434 on 4 procs for 1000 steps with 577 atoms
+
+Performance: 1295.607 ns/day, 0.019 hours/ns, 2999.091 timesteps/s
+99.5% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 0.25639 | 0.2636 | 0.2708 | 1.0 | 79.06
+Neigh | 0.017381 | 0.017991 | 0.018988 | 0.4 | 5.40
+Comm | 0.026086 | 0.034315 | 0.042505 | 3.2 | 10.29
+Output | 0.00022078 | 0.00023323 | 0.00026107 | 0.0 | 0.07
+Modify | 0.013295 | 0.013709 | 0.014107 | 0.2 | 4.11
+Other | | 0.003584 | | | 1.07
+
+Nlocal: 144.25 ave 149 max 139 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Nghost: 530.5 ave 536 max 526 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Neighs: 3471.75 ave 3626 max 3292 min
+Histogram: 1 0 0 0 1 0 1 0 0 1
+
+Total # of neighbors = 13887
+Ave neighs/atom = 24.0676
+Neighbor list builds = 88
+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/global
+
+fix HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
+fix HG mobile hyper/global 3.2 ${qfactor} ${Vmax} ${Tequil}
+fix HG mobile hyper/global 3.2 0.3 ${Vmax} ${Tequil}
+fix HG mobile hyper/global 3.2 0.3 0.5 ${Tequil}
+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)
+
+thermo_modify lost ignore
+thermo_modify temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
+
+thermo ${nevent}
+thermo 1000
+
+# dump output options
+
+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 1000000 global.*.jpg v_acolor type zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump 1 all image 1000000 global.*.jpg v_acolor type 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} HG event min 1.0e-6 1.0e-6 100 100 dump 1
+hyper 100000 ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
+hyper 100000 1000 HG event min 1.0e-6 1.0e-6 100 100 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 = 6.07583
+ binsize = 3.03792, bins = 8 8 7
+ 2 neighbor lists, perpetual/occasional/extra = 1 1 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/global, occasional, copy from (1)
+ attributes: half, newton on
+ pair build: copy
+ stencil: none
+ bin: none
+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]
+ 0 522.64479 -3200.0627 0 0 0 0 0 0 0 0 0 0 0 0
+ 13 522.64479 -3217.9151 0 0 0 0 0 0 0 0 0 0 0 0
+Loop time of 0.0106812 on 4 procs for 13 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]
+ 0 522.64479 -3200.0627 0.39402008 9365.7631 0.13811729 429 426 6.0069324 0 0.36151295 3.1652084 0 0 0
+ 1000 512.35059 -3198.5556 0.32845525 2044.9347 0.17572153 257 259 6.0069324 0.137 0.77425934 3.8913771 5302.7599 0 0
+Loop time of 0.314234 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]
+ 1000 512.35059 -3198.5556 0.32845525 2044.9347 0.17572153 257 259 6.0069324 0.137 0.77425934 3.8913771 5302.7599 0 0
+ 1014 512.35059 -3217.9161 0.32845525 2044.9347 0.17572153 257 259 6.0069324 0.13510848 0.77425934 3.8913771 5302.7599 0 0
+Loop time of 0.0071606 on 4 procs for 14 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]
+ 1000 512.35059 -3198.5556 0.32845525 2044.9347 0.17572153 257 259 6.0069324 0.137 0.77425934 3.8913771 5302.7599 0 0
+ 2000 502.60215 -3197.7892 0.01351505 1.3684394 0.29591771 116 127 6.0069324 0.103 0.77425934 3.8913771 11603.458 0 0
+Loop time of 0.33185 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]
+ 2000 502.60215 -3197.7892 0.01351505 1.3684394 0.29591771 116 127 6.0069324 0.103 0.77425934 3.8913771 11603.458 0 0
+ 2015 502.60215 -3217.9155 0.01351505 1.3684394 0.29591771 116 127 6.0069324 0.10223325 0.77425934 3.8913771 11603.458 0 0
+Loop time of 0.00889879 on 4 procs for 15 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]
+ 2000 502.60215 -3197.7892 0.01351505 1.3684394 0.29591771 116 127 6.0069324 0.103 0.77425934 3.8913771 11603.458 0 0
+ 3000 481.01481 -3199.1324 0 1 1.0289113 542 544 6.0069324 0.212 2.8308749 5.5814852 12488.613 0 0
+Loop time of 0.334598 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]
+ 3000 481.01481 -3199.1324 0 1 1.0289113 542 544 6.0069324 0.212 2.8308749 5.5814852 12488.613 0 0
+ 3014 481.01481 -3217.916 0 1 1.0289113 542 544 6.0069324 0.21101526 2.8308749 5.5814852 12488.613 0 0
+Loop time of 0.0103227 on 4 procs for 14 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]
+ 3000 481.01481 -3199.1324 0.25134819 341.56656 0.21155927 277 539 6.0069324 0.212 2.8308749 5.5814852 12488.613 1 2
+ 4000 474.51721 -3197.9082 0.26384891 456.53799 0.20617274 361 83 6.0069324 0.18325 2.8308749 5.5814852 22776.39 1 2
+Loop time of 0.302547 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]
+ 4000 474.51721 -3197.9082 0.26384891 456.53799 0.20617274 361 83 6.0069324 0.18325 2.8308749 5.5814852 22776.39 1 2
+ 4014 474.51721 -3217.9172 0.26384891 456.53799 0.20617274 361 83 6.0069324 0.18261086 2.8308749 5.5814852 22776.39 1 2
+Loop time of 0.00868511 on 4 procs for 14 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]
+ 4000 474.51721 -3197.9082 0.26384891 456.53799 0.20617274 361 83 6.0069324 0.18325 2.8308749 5.5814852 22776.39 1 2
+ 5000 478.08772 -3199.6792 0.043886568 2.7692147 0.2865317 275 577 6.0069324 0.1586 2.8308749 5.5814852 35085.309 1 2
+Loop time of 0.300419 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]
+ 5000 478.08772 -3199.6792 0.043886568 2.7692147 0.2865317 275 577 6.0069324 0.1586 2.8308749 5.5814852 35085.309 1 2
+ 5015 478.08772 -3217.9131 0.043886568 2.7692147 0.2865317 275 577 6.0069324 0.15812562 2.8308749 5.5814852 35085.309 1 2
+Loop time of 0.00705171 on 4 procs for 15 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]
+ 5000 478.08772 -3199.6792 0.043886568 2.7692147 0.2865317 275 577 6.0069324 0.1586 2.8308749 5.5814852 35085.309 1 2
+ 6000 458.77612 -3197.8588 0.27710376 620.98321 0.20030308 511 546 6.0069324 0.171 2.8308749 5.5814852 38747.284 1 2
+Loop time of 0.287999 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]
+ 6000 458.77612 -3197.8588 0.27710376 620.98321 0.20030308 511 546 6.0069324 0.171 2.8308749 5.5814852 38747.284 1 2
+ 6015 458.77612 -3217.9165 0.27710376 620.98321 0.20030308 511 546 6.0069324 0.17057357 2.8308749 5.5814852 38747.284 1 2
+Loop time of 0.00888014 on 4 procs for 15 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]
+ 6000 458.77612 -3197.8588 0.27710376 620.98321 0.20030308 511 546 6.0069324 0.171 2.8308749 5.5814852 38747.284 1 2
+ 7000 476.88452 -3198.3269 0.0828164 6.8352063 0.27403111 264 275 6.0069324 0.17714286 2.8308749 5.5814852 45612.389 1 2
+Loop time of 0.29168 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]
+ 7000 476.88452 -3198.3269 0.0828164 6.8352063 0.27403111 264 275 6.0069324 0.17714286 2.8308749 5.5814852 45612.389 1 2
+ 7015 476.88452 -3217.9146 0.0828164 6.8352063 0.27403111 264 275 6.0069324 0.17676408 2.8308749 5.5814852 45612.389 1 2
+Loop time of 0.00871038 on 4 procs for 15 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]
+ 7000 476.88452 -3198.3269 0.0828164 6.8352063 0.27403111 264 275 6.0069324 0.17714286 2.8308749 5.5814852 45612.389 1 2
+ 8000 521.60584 -3199.0138 0.22715857 194.82964 0.22161105 419 124 6.0069324 0.191875 2.8308749 5.5814852 46748.053 1 2
+Loop time of 0.284021 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]
+ 8000 521.60584 -3199.0138 0.22715857 194.82964 0.22161105 419 124 6.0069324 0.191875 2.8308749 5.5814852 46748.053 1 2
+ 8015 521.60584 -3217.9163 0.22715857 194.82964 0.22161105 419 124 6.0069324 0.19151591 2.8308749 5.5814852 46748.053 1 2
+Loop time of 0.00697637 on 4 procs for 15 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]
+ 8000 521.60584 -3199.0138 0.22715857 194.82964 0.22161105 419 124 6.0069324 0.191875 2.8308749 5.5814852 46748.053 1 2
+ 9000 496.87475 -3198.4928 0.13677449 23.912479 0.25569629 264 275 6.0069324 0.18388889 2.8308749 5.5814852 49596.596 1 2
+Loop time of 0.238759 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]
+ 9000 496.87475 -3198.4928 0.13677449 23.912479 0.25569629 264 275 6.0069324 0.18388889 2.8308749 5.5814852 49596.596 1 2
+ 9014 496.87475 -3217.9149 0.13677449 23.912479 0.25569629 264 275 6.0069324 0.18360328 2.8308749 5.5814852 49596.596 1 2
+Loop time of 0.00677681 on 4 procs for 14 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]
+ 9000 496.87475 -3198.4928 0.13677449 23.912479 0.25569629 264 275 6.0069324 0.18388889 2.8308749 5.5814852 49596.596 1 2
+ 10000 478.6826 -3199.6673 0.37406677 5894.1727 0.1505589 127 132 6.0069324 0.1982 2.8308749 5.5814852 54170.476 1 2
+Loop time of 0.23881 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]
+ 10000 478.6826 -3199.6673 0.37406677 5894.1727 0.1505589 127 132 6.0069324 0.1982 2.8308749 5.5814852 54170.476 1 2
+ 10013 478.6826 -3217.9144 0.37406677 5894.1727 0.1505589 127 132 6.0069324 0.19794267 2.8308749 5.5814852 54170.476 1 2
+Loop time of 0.00627023 on 4 procs for 13 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]
+ 10000 478.6826 -3199.6673 0.37406677 5894.1727 0.1505589 127 132 6.0069324 0.1982 2.8308749 5.5814852 54170.476 1 2
+ 11000 518.40222 -3199.3332 0.34753231 3183.9595 0.16566286 383 418 6.0069324 0.18809091 2.8308749 5.5814852 58304.709 1 2
+Loop time of 0.238288 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]
+ 11000 518.40222 -3199.3332 0.34753231 3183.9595 0.16566286 383 418 6.0069324 0.18809091 2.8308749 5.5814852 58304.709 1 2
+ 11013 518.40222 -3217.915 0.34753231 3183.9595 0.16566286 383 418 6.0069324 0.18786888 2.8308749 5.5814852 58304.709 1 2
+Loop time of 0.00599569 on 4 procs for 13 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]
+ 11000 518.40222 -3199.3332 0.34753231 3183.9595 0.16566286 383 418 6.0069324 0.18809091 2.8308749 5.5814852 58304.709 1 2
+ 12000 552.07348 -3197.6675 0.0063435549 1.1586177 0.29809086 144 143 6.0069324 0.18016667 2.8308749 5.5814852 66990.451 1 2
+Loop time of 0.23842 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]
+ 12000 552.07348 -3197.6675 0.0063435549 1.1586177 0.29809086 144 143 6.0069324 0.18016667 2.8308749 5.5814852 66990.451 1 2
+ 12013 552.07348 -3217.9165 0.0063435549 1.1586177 0.29809086 144 143 6.0069324 0.1799717 2.8308749 5.5814852 66990.451 1 2
+Loop time of 0.00602174 on 4 procs for 13 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]
+ 12000 552.07348 -3197.6675 0.0063435549 1.1586177 0.29809086 144 143 6.0069324 0.18016667 2.8308749 5.5814852 66990.451 1 2
+ 13000 471.13412 -3198.1314 0.30918747 1307.5821 0.18532743 116 123 6.0069324 0.17338462 2.8308749 5.5814852 74345.114 1 2
+Loop time of 0.237671 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]
+ 13000 471.13412 -3198.1314 0.30918747 1307.5821 0.18532743 116 123 6.0069324 0.17338462 2.8308749 5.5814852 74345.114 1 2
+ 13014 471.13412 -3217.9158 0.30918747 1307.5821 0.18532743 116 123 6.0069324 0.17319809 2.8308749 5.5814852 74345.114 1 2
+Loop time of 0.00647223 on 4 procs for 14 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]
+ 13000 471.13412 -3198.1314 0.30918747 1307.5821 0.18532743 116 123 6.0069324 0.17338462 2.8308749 5.5814852 74345.114 1 2
+ 14000 470.81692 -3198.8871 0.10763953 12.160669 0.26575343 275 577 6.0069324 0.18235714 2.8308749 5.5814852 76252.748 1 2
+Loop time of 0.238789 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]
+ 14000 470.81692 -3198.8871 0.10763953 12.160669 0.26575343 275 577 6.0069324 0.18235714 2.8308749 5.5814852 76252.748 1 2
+ 14015 470.81692 -3217.9147 0.10763953 12.160669 0.26575343 275 577 6.0069324 0.18216197 2.8308749 5.5814852 76252.748 1 2
+Loop time of 0.00651169 on 4 procs for 15 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]
+ 14000 470.81692 -3198.8871 0.10763953 12.160669 0.26575343 275 577 6.0069324 0.18235714 2.8308749 5.5814852 76252.748 1 2
+ 15000 473.2435 -3199.0907 0.20712247 122.37713 0.22960391 569 570 6.0069324 0.18553333 2.8308749 5.5814852 81659.641 1 2
+Loop time of 0.23755 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]
+ 15000 473.2435 -3199.0907 0.20712247 122.37713 0.22960391 569 570 6.0069324 0.18553333 2.8308749 5.5814852 81659.641 1 2
+ 15014 473.2435 -3217.9161 0.20712247 122.37713 0.22960391 569 570 6.0069324 0.18536033 2.8308749 5.5814852 81659.641 1 2
+Loop time of 0.00644851 on 4 procs for 14 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]
+ 15000 473.2435 -3199.0907 0.20712247 122.37713 0.22960391 569 570 6.0069324 0.18553333 2.8308749 5.5814852 81659.641 1 2
+ 16000 504.33627 -3199.1713 0.036898146 2.3545967 0.28871843 264 275 6.0069324 0.199875 2.8308749 5.5814852 82224.366 1 2
+Loop time of 0.240195 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]
+ 16000 504.33627 -3199.1713 0.036898146 2.3545967 0.28871843 264 275 6.0069324 0.199875 2.8308749 5.5814852 82224.366 1 2
+ 16015 504.33627 -3217.9137 0.036898146 2.3545967 0.28871843 264 275 6.0069324 0.19968779 2.8308749 5.5814852 82224.366 1 2
+Loop time of 0.00684911 on 4 procs for 15 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]
+ 16000 504.33627 -3199.1713 0.036898146 2.3545967 0.28871843 264 275 6.0069324 0.199875 2.8308749 5.5814852 82224.366 1 2
+ 17000 497.60607 -3198.212 0.0067178767 1.1687272 0.29797782 264 275 6.0069324 0.217 2.8308749 5.5814852 82242.51 1 2
+Loop time of 0.240567 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]
+ 17000 497.60607 -3198.212 0.0067178767 1.1687272 0.29797782 264 275 6.0069324 0.217 2.8308749 5.5814852 82242.51 1 2
+ 17016 497.60607 -3217.9161 0.0067178767 1.1687272 0.29797782 264 275 6.0069324 0.21679596 2.8308749 5.5814852 82242.51 1 2
+Loop time of 0.00708336 on 4 procs for 16 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]
+ 17000 497.60607 -3198.212 0.0067178767 1.1687272 0.29797782 264 275 6.0069324 0.217 2.8308749 5.5814852 82242.51 1 2
+ 18000 523.92168 -3199.831 0.21046671 132.25396 0.22828927 264 275 6.0069324 0.22444444 2.8308749 5.5814852 82304.143 1 2
+Loop time of 0.240636 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]
+ 18000 523.92168 -3199.831 0.21046671 132.25396 0.22828927 264 275 6.0069324 0.22444444 2.8308749 5.5814852 82304.143 1 2
+ 18014 523.92168 -3217.9153 0.21046671 132.25396 0.22828927 264 275 6.0069324 0.22427001 2.8308749 5.5814852 82304.143 1 2
+Loop time of 0.00646216 on 4 procs for 14 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]
+ 18000 523.92168 -3199.831 0.21046671 132.25396 0.22828927 264 275 6.0069324 0.22444444 2.8308749 5.5814852 82304.143 1 2
+ 19000 538.76557 -3198.7203 0.036295998 2.3219194 0.28890608 397 400 6.0069324 0.228 2.8308749 5.5814852 83487.232 1 2
+Loop time of 0.239259 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]
+ 19000 538.76557 -3198.7203 0.036295998 2.3219194 0.28890608 397 400 6.0069324 0.228 2.8308749 5.5814852 83487.232 1 2
+ 19014 538.76557 -3217.9141 0.036295998 2.3219194 0.28890608 397 400 6.0069324 0.22783212 2.8308749 5.5814852 83487.232 1 2
+Loop time of 0.0061307 on 4 procs for 14 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]
+ 19000 538.76557 -3198.7203 0.036295998 2.3219194 0.28890608 397 400 6.0069324 0.228 2.8308749 5.5814852 83487.232 1 2
+ 20000 483.9598 -3198.1166 0.13750177 24.319538 0.25544017 400 131 6.0069324 0.2187 2.8308749 5.5814852 91177.618 1 2
+Loop time of 0.241751 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]
+ 20000 483.9598 -3198.1166 0.13750177 24.319538 0.25544017 400 131 6.0069324 0.2187 2.8308749 5.5814852 91177.618 1 2
+ 20014 483.9598 -3217.9137 0.13750177 24.319538 0.25544017 400 131 6.0069324 0.21854702 2.8308749 5.5814852 91177.618 1 2
+Loop time of 0.00646776 on 4 procs for 14 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]
+ 20000 483.9598 -3198.1166 0.13750177 24.319538 0.25544017 400 131 6.0069324 0.2187 2.8308749 5.5814852 91177.618 1 2
+ 21000 518.44073 -3199.7932 0.30241436 1117.3756 0.18858795 553 577 6.0069324 0.21271429 2.8308749 5.5814852 99740.17 1 2
+Loop time of 0.239403 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]
+ 21000 518.44073 -3199.7932 0.30241436 1117.3756 0.18858795 553 577 6.0069324 0.21271429 2.8308749 5.5814852 99740.17 1 2
+ 21014 518.44073 -3217.9126 0.30241436 1117.3756 0.18858795 553 577 6.0069324 0.21257257 2.8308749 5.5814852 99740.17 1 2
+Loop time of 0.00643963 on 4 procs for 14 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]
+ 21000 518.44073 -3199.7932 0.30241436 1117.3756 0.18858795 553 577 6.0069324 0.21271429 2.8308749 5.5814852 99740.17 1 2
+ 22000 518.95823 -3198.6693 0 1 0.4887755 262 263 6.0069324 0.22327273 2.8308749 5.5814852 103304.87 1 2
+Loop time of 0.241227 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]
+ 22000 518.95823 -3198.6693 0 1 0.4887755 262 263 6.0069324 0.22327273 2.8308749 5.5814852 103304.87 1 2
+ 22033 518.95823 -3217.916 0 1 0.4887755 262 263 6.0069324 0.22293832 2.8308749 5.5814852 103304.87 1 2
+Loop time of 0.015579 on 4 procs for 33 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]
+ 22000 518.95823 -3198.6693 0 1 0.4887755 262 263 6.0069324 0.22327273 2.8308749 5.5814852 103304.87 1 2
+ 23000 534.01428 -3197.6551 0.10264812 10.830446 0.26743848 136 431 6.0069324 0.22469565 2.8308749 5.5814852 108159.84 1 2
+Loop time of 0.240257 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]
+ 23000 534.01428 -3197.6551 0.10264812 10.830446 0.26743848 136 431 6.0069324 0.22469565 2.8308749 5.5814852 108159.84 1 2
+ 23015 534.01428 -3217.9147 0.10264812 10.830446 0.26743848 136 431 6.0069324 0.22454921 2.8308749 5.5814852 108159.84 1 2
+Loop time of 0.0067718 on 4 procs for 15 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]
+ 23000 534.01428 -3197.6551 0.10264812 10.830446 0.26743848 136 431 6.0069324 0.22469565 2.8308749 5.5814852 108159.84 1 2
+ 24000 502.61915 -3198.9796 0.22019457 165.75289 0.22442143 132 143 6.0069324 0.21883333 2.8308749 5.5814852 115124.63 1 2
+Loop time of 0.241014 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]
+ 24000 502.61915 -3198.9796 0.22019457 165.75289 0.22442143 132 143 6.0069324 0.21883333 2.8308749 5.5814852 115124.63 1 2
+ 24014 502.61915 -3217.9149 0.22019457 165.75289 0.22442143 132 143 6.0069324 0.21870575 2.8308749 5.5814852 115124.63 1 2
+Loop time of 0.006706 on 4 procs for 14 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]
+ 24000 502.61915 -3198.9796 0.22019457 165.75289 0.22442143 132 143 6.0069324 0.21883333 2.8308749 5.5814852 115124.63 1 2
+ 25000 510.27664 -3200.7431 0.34609419 3079.4414 0.16644232 120 119 6.0069324 0.21512 2.8308749 5.5814852 118042.99 1 2
+Loop time of 0.239452 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]
+ 25000 510.27664 -3200.7431 0.34609419 3079.4414 0.16644232 120 119 6.0069324 0.21512 2.8308749 5.5814852 118042.99 1 2
+ 25013 510.27664 -3217.9127 0.34609419 3079.4414 0.16644232 120 119 6.0069324 0.2150082 2.8308749 5.5814852 118042.99 1 2
+Loop time of 0.00622821 on 4 procs for 13 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]
+ 25000 510.27664 -3200.7431 0.34609419 3079.4414 0.16644232 120 119 6.0069324 0.21512 2.8308749 5.5814852 118042.99 1 2
+ 26000 511.79717 -3198.2999 0.19492582 92.206933 0.23433598 263 577 6.0069324 0.21273077 2.8308749 5.5814852 124902.88 1 2
+Loop time of 0.271219 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]
+ 26000 511.79717 -3198.2999 0.19492582 92.206933 0.23433598 263 577 6.0069324 0.21273077 2.8308749 5.5814852 124902.88 1 2
+ 26015 511.79717 -3217.9147 0.19492582 92.206933 0.23433598 263 577 6.0069324 0.21260811 2.8308749 5.5814852 124902.88 1 2
+Loop time of 0.0105773 on 4 procs for 15 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]
+ 26000 511.79717 -3198.2999 0.19492582 92.206933 0.23433598 263 577 6.0069324 0.21273077 2.8308749 5.5814852 124902.88 1 2
+ 27000 487.73368 -3197.4904 0.19560731 93.67693 0.2340741 401 572 6.0069324 0.20814815 2.8308749 5.5814852 130713.79 1 2
+Loop time of 0.293879 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]
+ 27000 487.73368 -3197.4904 0.19560731 93.67693 0.2340741 401 572 6.0069324 0.20814815 2.8308749 5.5814852 130713.79 1 2
+ 27015 487.73368 -3217.9161 0.19560731 93.67693 0.2340741 401 572 6.0069324 0.20803257 2.8308749 5.5814852 130713.79 1 2
+Loop time of 0.00895333 on 4 procs for 15 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]
+ 27000 487.73368 -3197.4904 0.19560731 93.67693 0.2340741 401 572 6.0069324 0.20814815 2.8308749 5.5814852 130713.79 1 2
+ 28000 468.95408 -3198.4177 0.3457758 3056.7694 0.1666144 549 515 6.0069324 0.204 2.8308749 5.5814852 135376.2 1 2
+Loop time of 0.286141 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]
+ 28000 468.95408 -3198.4177 0.3457758 3056.7694 0.1666144 549 515 6.0069324 0.204 2.8308749 5.5814852 135376.2 1 2
+ 28014 468.95408 -3217.9167 0.3457758 3056.7694 0.1666144 549 515 6.0069324 0.20389805 2.8308749 5.5814852 135376.2 1 2
+Loop time of 0.00648469 on 4 procs for 14 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]
+ 28000 468.95408 -3198.4177 0.3457758 3056.7694 0.1666144 549 515 6.0069324 0.204 2.8308749 5.5814852 135376.2 1 2
+ 29000 518.03534 -3198.1622 0.029706116 1.9926184 0.29095171 267 260 6.0069324 0.20031034 2.8308749 5.5814852 143604.35 1 2
+Loop time of 0.24066 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]
+ 29000 518.03534 -3198.1622 0.029706116 1.9926184 0.29095171 267 260 6.0069324 0.20031034 2.8308749 5.5814852 143604.35 1 2
+ 29014 518.03534 -3217.9137 0.029706116 1.9926184 0.29095171 267 260 6.0069324 0.20021369 2.8308749 5.5814852 143604.35 1 2
+Loop time of 0.0063417 on 4 procs for 14 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]
+ 29000 518.03534 -3198.1622 0.029706116 1.9926184 0.29095171 267 260 6.0069324 0.20031034 2.8308749 5.5814852 143604.35 1 2
+ 30000 535.78782 -3198.3125 0.33831746 2570.9054 0.17059559 122 124 6.0069324 0.19596667 2.8308749 5.5814852 150106.09 1 2
+Loop time of 0.259515 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]
+ 30000 535.78782 -3198.3125 0.33831746 2570.9054 0.17059559 122 124 6.0069324 0.19596667 2.8308749 5.5814852 150106.09 1 2
+ 30014 535.78782 -3217.9119 0.33831746 2570.9054 0.17059559 122 124 6.0069324 0.19587526 2.8308749 5.5814852 150106.09 1 2
+Loop time of 0.0123347 on 4 procs for 14 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]
+ 30000 535.78782 -3198.3125 0.33831746 2570.9054 0.17059559 122 124 6.0069324 0.19596667 2.8308749 5.5814852 150106.09 1 2
+ 31000 547.06872 -3198.3217 0.21707776 154.18603 0.22566791 275 577 6.0069324 0.19987097 2.8308749 5.5814852 151076.53 1 2
+Loop time of 0.321976 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]
+ 31000 547.06872 -3198.3217 0.21707776 154.18603 0.22566791 275 577 6.0069324 0.19987097 2.8308749 5.5814852 151076.53 1 2
+ 31014 547.06872 -3217.9165 0.21707776 154.18603 0.22566791 275 577 6.0069324 0.19978074 2.8308749 5.5814852 151076.53 1 2
+Loop time of 0.00811768 on 4 procs for 14 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]
+ 31000 547.06872 -3198.3217 0.21707776 154.18603 0.22566791 275 577 6.0069324 0.19987097 2.8308749 5.5814852 151076.53 1 2
+ 32000 469.53603 -3199.325 0.35776457 4037.4217 0.16000743 563 268 6.0069324 0.20171875 2.8308749 5.5814852 152526.06 1 2
+Loop time of 0.290834 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]
+ 32000 469.53603 -3199.325 0.35776457 4037.4217 0.16000743 563 268 6.0069324 0.20171875 2.8308749 5.5814852 152526.06 1 2
+ 32013 469.53603 -3217.9147 0.35776457 4037.4217 0.16000743 563 268 6.0069324 0.20163684 2.8308749 5.5814852 152526.06 1 2
+Loop time of 0.00746775 on 4 procs for 13 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]
+ 32000 469.53603 -3199.325 0.35776457 4037.4217 0.16000743 563 268 6.0069324 0.20171875 2.8308749 5.5814852 152526.06 1 2
+ 33000 491.33889 -3199.1986 0.32620326 1940.7983 0.17687118 258 228 6.0069324 0.19833333 2.8308749 5.5814852 156385.66 1 2
+Loop time of 0.243351 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]
+ 33000 491.33889 -3199.1986 0.32620326 1940.7983 0.17687118 258 228 6.0069324 0.19833333 2.8308749 5.5814852 156385.66 1 2
+ 33014 491.33889 -3217.9155 0.32620326 1940.7983 0.17687118 258 228 6.0069324 0.19824923 2.8308749 5.5814852 156385.66 1 2
+Loop time of 0.00658584 on 4 procs for 14 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]
+ 33000 491.33889 -3199.1986 0.32620326 1940.7983 0.17687118 258 228 6.0069324 0.19833333 2.8308749 5.5814852 156385.66 1 2
+ 34000 503.19322 -3198.8767 0.050333006 3.2161315 0.28449966 275 577 6.0069324 0.19794118 2.8308749 5.5814852 161964.99 1 2
+Loop time of 0.238415 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]
+ 34000 503.19322 -3198.8767 0.050333006 3.2161315 0.28449966 275 577 6.0069324 0.19794118 2.8308749 5.5814852 161964.99 1 2
+ 34016 503.19322 -3217.9158 0.050333006 3.2161315 0.28449966 275 577 6.0069324 0.19784807 2.8308749 5.5814852 161964.99 1 2
+Loop time of 0.00771642 on 4 procs for 16 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]
+ 34000 503.19322 -3198.8767 0.050333006 3.2161315 0.28449966 275 577 6.0069324 0.19794118 2.8308749 5.5814852 161964.99 1 2
+ 35000 513.68037 -3197.8169 0.26004762 417.98593 0.20782548 264 275 6.0069324 0.199 2.8308749 5.5814852 164995.25 1 2
+Loop time of 0.240164 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]
+ 35000 513.68037 -3197.8169 0.26004762 417.98593 0.20782548 264 275 6.0069324 0.199 2.8308749 5.5814852 164995.25 1 2
+ 35015 513.68037 -3217.9147 0.26004762 417.98593 0.20782548 264 275 6.0069324 0.19891475 2.8308749 5.5814852 164995.25 1 2
+Loop time of 0.00711012 on 4 procs for 15 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]
+ 35000 513.68037 -3197.8169 0.26004762 417.98593 0.20782548 264 275 6.0069324 0.199 2.8308749 5.5814852 164995.25 1 2
+ 36000 508.23462 -3199.0337 0.009260286 1.2397653 0.29720893 563 564 6.0069324 0.20069444 2.8308749 5.5814852 167465.14 1 2
+Loop time of 0.240289 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]
+ 36000 508.23462 -3199.0337 0.009260286 1.2397653 0.29720893 563 564 6.0069324 0.20069444 2.8308749 5.5814852 167465.14 1 2
+ 36014 508.23462 -3217.9163 0.009260286 1.2397653 0.29720893 563 564 6.0069324 0.20061643 2.8308749 5.5814852 167465.14 1 2
+Loop time of 0.00642586 on 4 procs for 14 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]
+ 36000 508.23462 -3199.0337 0.009260286 1.2397653 0.29720893 563 564 6.0069324 0.20069444 2.8308749 5.5814852 167465.14 1 2
+ 37000 500.95069 -3199.7129 0.024475083 1.764809 0.29256535 275 577 6.0069324 0.19783784 2.8308749 5.5814852 169290.01 1 2
+Loop time of 0.239462 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]
+ 37000 500.95069 -3199.7129 0.024475083 1.764809 0.29256535 275 577 6.0069324 0.19783784 2.8308749 5.5814852 169290.01 1 2
+ 37015 500.95069 -3217.916 0.024475083 1.764809 0.29256535 275 577 6.0069324 0.19775767 2.8308749 5.5814852 169290.01 1 2
+Loop time of 0.00713468 on 4 procs for 15 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]
+ 37000 500.95069 -3199.7129 0.024475083 1.764809 0.29256535 275 577 6.0069324 0.19783784 2.8308749 5.5814852 169290.01 1 2
+ 38000 495.41803 -3199.6385 0 1 1.0152866 262 275 6.0069324 0.21794737 2.8308749 5.5814852 169297.9 1 2
+Loop time of 0.239667 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]
+ 38000 495.41803 -3199.6385 0 1 1.0152866 262 275 6.0069324 0.21794737 2.8308749 5.5814852 169297.9 1 2
+ 38013 495.41803 -3217.9157 0 1 1.0152866 262 275 6.0069324 0.21787283 2.8308749 5.5814852 169297.9 1 2
+Loop time of 0.00627661 on 4 procs for 13 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]
+ 38000 495.41803 -3199.6385 0.39298625 9143.7129 0.13878932 430 431 6.0069324 0.21794737 2.8308749 5.5814852 169297.9 2 4
+ 39000 469.05202 -3196.0515 0.10638057 11.810485 0.26617945 408 415 6.0069324 0.21410256 2.8308749 5.5814852 175842.05 2 4
+Loop time of 0.238329 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]
+ 39000 469.05202 -3196.0515 0.10638057 11.810485 0.26617945 408 415 6.0069324 0.21410256 2.8308749 5.5814852 175842.05 2 4
+ 39015 469.05202 -3217.917 0.10638057 11.810485 0.26617945 408 415 6.0069324 0.21402025 2.8308749 5.5814852 175842.05 2 4
+Loop time of 0.00683451 on 4 procs for 15 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]
+ 39000 469.05202 -3196.0515 0.10638057 11.810485 0.26617945 408 415 6.0069324 0.21410256 2.8308749 5.5814852 175842.05 2 4
+ 40000 542.78328 -3198.4918 0.18612218 75.166934 0.2376931 567 560 6.0069324 0.214275 2.8308749 5.5814852 179412.45 2 4
+Loop time of 0.23954 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]
+ 40000 542.78328 -3198.4918 0.18612218 75.166934 0.2376931 567 560 6.0069324 0.214275 2.8308749 5.5814852 179412.45 2 4
+ 40014 542.78328 -3217.9148 0.18612218 75.166934 0.2376931 567 560 6.0069324 0.21420003 2.8308749 5.5814852 179412.45 2 4
+Loop time of 0.00652599 on 4 procs for 14 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]
+ 40000 542.78328 -3198.4918 0.18612218 75.166934 0.2376931 567 560 6.0069324 0.214275 2.8308749 5.5814852 179412.45 2 4
+ 41000 548.99015 -3197.5893 0.30318345 1137.4995 0.18822056 124 135 6.0069324 0.21114634 2.8308749 5.5814852 184564.49 2 4
+Loop time of 0.239863 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]
+ 41000 548.99015 -3197.5893 0.30318345 1137.4995 0.18822056 124 135 6.0069324 0.21114634 2.8308749 5.5814852 184564.49 2 4
+ 41014 548.99015 -3217.9174 0.30318345 1137.4995 0.18822056 124 135 6.0069324 0.21107427 2.8308749 5.5814852 184564.49 2 4
+Loop time of 0.00668764 on 4 procs for 14 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]
+ 41000 548.99015 -3197.5893 0.30318345 1137.4995 0.18822056 124 135 6.0069324 0.21114634 2.8308749 5.5814852 184564.49 2 4
+ 42000 492.4929 -3198.0535 0.31406773 1464.4003 0.18294209 262 264 6.0069324 0.20954762 2.8308749 5.5814852 187620.86 2 4
+Loop time of 0.238458 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]
+ 42000 492.4929 -3198.0535 0.31406773 1464.4003 0.18294209 262 264 6.0069324 0.20954762 2.8308749 5.5814852 187620.86 2 4
+ 42014 492.4929 -3217.9154 0.31406773 1464.4003 0.18294209 262 264 6.0069324 0.20947779 2.8308749 5.5814852 187620.86 2 4
+Loop time of 0.00658375 on 4 procs for 14 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]
+ 42000 492.4929 -3198.0535 0.31406773 1464.4003 0.18294209 262 264 6.0069324 0.20954762 2.8308749 5.5814852 187620.86 2 4
+ 43000 524.32334 -3199.9723 0.171134 53.082676 0.24330204 287 276 6.0069324 0.20893023 2.8308749 5.5814852 189618.98 2 4
+Loop time of 0.240476 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]
+ 43000 524.32334 -3199.9723 0.171134 53.082676 0.24330204 287 276 6.0069324 0.20893023 2.8308749 5.5814852 189618.98 2 4
+ 43015 524.32334 -3217.9151 0.171134 53.082676 0.24330204 287 276 6.0069324 0.20885738 2.8308749 5.5814852 189618.98 2 4
+Loop time of 0.00655174 on 4 procs for 15 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]
+ 43000 524.32334 -3199.9723 0.171134 53.082676 0.24330204 287 276 6.0069324 0.20893023 2.8308749 5.5814852 189618.98 2 4
+ 44000 490.60365 -3198.9839 0.12604882 18.642955 0.25944404 544 276 6.0069324 0.21018182 2.8308749 5.5814852 193452.76 2 4
+Loop time of 0.240179 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]
+ 44000 490.60365 -3198.9839 0.12604882 18.642955 0.25944404 544 276 6.0069324 0.21018182 2.8308749 5.5814852 193452.76 2 4
+ 44015 490.60365 -3217.9148 0.12604882 18.642955 0.25944404 544 276 6.0069324 0.21011019 2.8308749 5.5814852 193452.76 2 4
+Loop time of 0.00717342 on 4 procs for 15 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]
+ 44000 490.60365 -3198.9839 0.12604882 18.642955 0.25944404 544 276 6.0069324 0.21018182 2.8308749 5.5814852 193452.76 2 4
+ 45000 516.91704 -3198.746 0.30358614 1148.1804 0.18802791 114 120 6.0069324 0.2092 2.8308749 5.5814852 194591.87 2 4
+Loop time of 0.24121 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]
+ 45000 516.91704 -3198.746 0.30358614 1148.1804 0.18802791 114 120 6.0069324 0.2092 2.8308749 5.5814852 194591.87 2 4
+ 45013 516.91704 -3217.9155 0.30358614 1148.1804 0.18802791 114 120 6.0069324 0.20913958 2.8308749 5.5814852 194591.87 2 4
+Loop time of 0.00649601 on 4 procs for 13 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]
+ 45000 516.91704 -3198.746 0.30358614 1148.1804 0.18802791 114 120 6.0069324 0.2092 2.8308749 5.5814852 194591.87 2 4
+ 46000 511.1774 -3196.9369 0.25070338 336.49294 0.21183341 138 259 6.0069324 0.20769565 2.8308749 5.5814852 199937.52 2 4
+Loop time of 0.239441 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]
+ 46000 511.1774 -3196.9369 0.25070338 336.49294 0.21183341 138 259 6.0069324 0.20769565 2.8308749 5.5814852 199937.52 2 4
+ 46015 511.1774 -3217.9159 0.25070338 336.49294 0.21183341 138 259 6.0069324 0.20762795 2.8308749 5.5814852 199937.52 2 4
+Loop time of 0.00681973 on 4 procs for 15 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]
+ 46000 511.1774 -3196.9369 0.25070338 336.49294 0.21183341 138 259 6.0069324 0.20769565 2.8308749 5.5814852 199937.52 2 4
+ 47000 480.5069 -3198.8501 0.071646863 5.2743358 0.27767529 544 556 6.0069324 0.20602128 2.8308749 5.5814852 202107.88 2 4
+Loop time of 0.24022 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]
+ 47000 480.5069 -3198.8501 0.071646863 5.2743358 0.27767529 544 556 6.0069324 0.20602128 2.8308749 5.5814852 202107.88 2 4
+ 47016 480.5069 -3217.9167 0.071646863 5.2743358 0.27767529 544 556 6.0069324 0.20595117 2.8308749 5.5814852 202107.88 2 4
+Loop time of 0.007438 on 4 procs for 16 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]
+ 47000 480.5069 -3198.8501 0.071646863 5.2743358 0.27767529 544 556 6.0069324 0.20602128 2.8308749 5.5814852 202107.88 2 4
+ 48000 540.51895 -3198.5792 0.04754734 3.0147795 0.28537953 544 556 6.0069324 0.2085 2.8308749 5.5814852 202899.91 2 4
+Loop time of 0.241529 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]
+ 48000 540.51895 -3198.5792 0.04754734 3.0147795 0.28537953 544 556 6.0069324 0.2085 2.8308749 5.5814852 202899.91 2 4
+ 48015 540.51895 -3217.9148 0.04754734 3.0147795 0.28537953 544 556 6.0069324 0.20843486 2.8308749 5.5814852 202899.91 2 4
+Loop time of 0.00695753 on 4 procs for 15 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]
+ 48000 540.51895 -3198.5792 0.04754734 3.0147795 0.28537953 544 556 6.0069324 0.2085 2.8308749 5.5814852 202899.91 2 4
+ 49000 527.63013 -3199.0384 0.28400417 728.84104 0.19717822 544 577 6.0069324 0.20961224 2.8308749 5.5814852 210926.93 2 4
+Loop time of 0.241009 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]
+ 49000 527.63013 -3199.0384 0.28400417 728.84104 0.19717822 544 577 6.0069324 0.20961224 2.8308749 5.5814852 210926.93 2 4
+ 49013 527.63013 -3217.9157 0.28400417 728.84104 0.19717822 544 577 6.0069324 0.20955665 2.8308749 5.5814852 210926.93 2 4
+Loop time of 0.00608408 on 4 procs for 13 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]
+ 49000 527.63013 -3199.0384 0.28400417 728.84104 0.19717822 544 577 6.0069324 0.20961224 2.8308749 5.5814852 210926.93 2 4
+ 50000 516.69962 -3198.3346 0.35295929 3611.3455 0.16268782 266 243 6.0069324 0.20898 2.8308749 5.5814852 215664.98 2 4
+Loop time of 0.239941 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]
+ 50000 516.69962 -3198.3346 0.35295929 3611.3455 0.16268782 266 243 6.0069324 0.20898 2.8308749 5.5814852 215664.98 2 4
+ 50013 516.69962 -3217.9156 0.35295929 3611.3455 0.16268782 266 243 6.0069324 0.20892568 2.8308749 5.5814852 215664.98 2 4
+Loop time of 0.00602353 on 4 procs for 13 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]
+ 50000 516.69962 -3198.3346 0.35295929 3611.3455 0.16268782 266 243 6.0069324 0.20898 2.8308749 5.5814852 215664.98 2 4
+ 51000 533.05598 -3198.0432 0.17474232 57.719563 0.2419636 123 128 6.0069324 0.2065098 2.8308749 5.5814852 221609.1 2 4
+Loop time of 0.240274 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]
+ 51000 533.05598 -3198.0432 0.17474232 57.719563 0.2419636 123 128 6.0069324 0.2065098 2.8308749 5.5814852 221609.1 2 4
+ 51015 533.05598 -3217.9143 0.17474232 57.719563 0.2419636 123 128 6.0069324 0.20644908 2.8308749 5.5814852 221609.1 2 4
+Loop time of 0.00743866 on 4 procs for 15 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]
+ 51000 533.05598 -3198.0432 0.17474232 57.719563 0.2419636 123 128 6.0069324 0.2065098 2.8308749 5.5814852 221609.1 2 4
+ 52000 545.98999 -3198.2633 0 1 0.30964409 287 276 6.0069324 0.20332692 2.8308749 5.5814852 230246.21 2 4
+Loop time of 0.239709 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]
+ 52000 545.98999 -3198.2633 0 1 0.30964409 287 276 6.0069324 0.20332692 2.8308749 5.5814852 230246.21 2 4
+ 52017 545.98999 -3217.9153 0 1 0.30964409 287 276 6.0069324 0.20326047 2.8308749 5.5814852 230246.21 2 4
+Loop time of 0.00786757 on 4 procs for 17 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]
+ 52000 545.98999 -3198.2633 0 1 0.30964409 287 276 6.0069324 0.20332692 2.8308749 5.5814852 230246.21 2 4
+ 53000 453.58658 -3199.3577 0.23959479 260.0198 0.21650159 278 279 6.0069324 0.20366038 2.8308749 5.5814852 233492.88 2 4
+Loop time of 0.240351 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]
+ 53000 453.58658 -3199.3577 0.23959479 260.0198 0.21650159 278 279 6.0069324 0.20366038 2.8308749 5.5814852 233492.88 2 4
+ 53014 453.58658 -3217.9131 0.23959479 260.0198 0.21650159 278 279 6.0069324 0.20360659 2.8308749 5.5814852 233492.88 2 4
+Loop time of 0.0067966 on 4 procs for 14 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]
+ 53000 453.58658 -3199.3577 0.23959479 260.0198 0.21650159 278 279 6.0069324 0.20366038 2.8308749 5.5814852 233492.88 2 4
+ 54000 502.12681 -3199.1712 0.28827435 804.7747 0.19521941 550 563 6.0069324 0.20264815 2.8308749 5.5814852 239627.25 2 4
+Loop time of 0.238634 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]
+ 54000 502.12681 -3199.1712 0.28827435 804.7747 0.19521941 550 563 6.0069324 0.20264815 2.8308749 5.5814852 239627.25 2 4
+ 54014 502.12681 -3217.9165 0.28827435 804.7747 0.19521941 550 563 6.0069324 0.20259562 2.8308749 5.5814852 239627.25 2 4
+Loop time of 0.00671387 on 4 procs for 14 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]
+ 54000 502.12681 -3199.1712 0.28827435 804.7747 0.19521941 550 563 6.0069324 0.20264815 2.8308749 5.5814852 239627.25 2 4
+ 55000 470.7967 -3197.4136 0.31075641 1356.0734 0.18456394 285 283 6.0069324 0.20041818 2.8308749 5.5814852 246248.56 2 4
+Loop time of 0.240888 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]
+ 55000 470.7967 -3197.4136 0.31075641 1356.0734 0.18456394 285 283 6.0069324 0.20041818 2.8308749 5.5814852 246248.56 2 4
+ 55013 470.7967 -3217.9136 0.31075641 1356.0734 0.18456394 285 283 6.0069324 0.20037082 2.8308749 5.5814852 246248.56 2 4
+Loop time of 0.00596166 on 4 procs for 13 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]
+ 55000 470.7967 -3197.4136 0.31075641 1356.0734 0.18456394 285 283 6.0069324 0.20041818 2.8308749 5.5814852 246248.56 2 4
+ 56000 533.34641 -3198.1323 0.16761369 48.918113 0.24460077 287 276 6.0069324 0.19926786 2.8308749 5.5814852 252499.61 2 4
+Loop time of 0.239487 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]
+ 56000 533.34641 -3198.1323 0.16761369 48.918113 0.24460077 287 276 6.0069324 0.19926786 2.8308749 5.5814852 252499.61 2 4
+ 56014 533.34641 -3217.9162 0.16761369 48.918113 0.24460077 287 276 6.0069324 0.19921805 2.8308749 5.5814852 252499.61 2 4
+Loop time of 0.00619745 on 4 procs for 14 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]
+ 56000 533.34641 -3198.1323 0.16761369 48.918113 0.24460077 287 276 6.0069324 0.19926786 2.8308749 5.5814852 252499.61 2 4
+ 57000 516.06876 -3197.7671 0 1 0.33139119 287 276 6.0069324 0.19807018 2.8308749 5.5814852 255923.67 2 4
+Loop time of 0.241093 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]
+ 57000 516.06876 -3197.7671 0 1 0.33139119 287 276 6.0069324 0.19807018 2.8308749 5.5814852 255923.67 2 4
+ 57016 516.06876 -3217.9146 0 1 0.33139119 287 276 6.0069324 0.19801459 2.8308749 5.5814852 255923.67 2 4
+Loop time of 0.00772929 on 4 procs for 16 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]
+ 57000 516.06876 -3197.7671 0 1 0.33139119 287 276 6.0069324 0.19807018 2.8308749 5.5814852 255923.67 2 4
+ 58000 489.18902 -3198.6347 0.20937806 128.95422 0.22871806 544 276 6.0069324 0.20094828 2.8308749 5.5814852 256132.07 2 4
+Loop time of 0.239761 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]
+ 58000 489.18902 -3198.6347 0.20937806 128.95422 0.22871806 544 276 6.0069324 0.20094828 2.8308749 5.5814852 256132.07 2 4
+ 58014 489.18902 -3217.9165 0.20937806 128.95422 0.22871806 544 276 6.0069324 0.20089978 2.8308749 5.5814852 256132.07 2 4
+Loop time of 0.00660753 on 4 procs for 14 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]
+ 58000 489.18902 -3198.6347 0.20937806 128.95422 0.22871806 544 276 6.0069324 0.20094828 2.8308749 5.5814852 256132.07 2 4
+ 59000 522.75445 -3197.4454 0 1 0.91317104 274 556 6.0069324 0.20305085 2.8308749 5.5814852 259828.37 2 4
+Loop time of 0.241627 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]
+ 59000 522.75445 -3197.4454 0 1 0.91317104 274 556 6.0069324 0.20305085 2.8308749 5.5814852 259828.37 2 4
+ 59013 522.75445 -3217.9138 0 1 0.91317104 274 556 6.0069324 0.20300612 2.8308749 5.5814852 259828.37 2 4
+Loop time of 0.00618345 on 4 procs for 13 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]
+ 59000 522.75445 -3197.4454 0.40114631 11050.253 0.1333929 547 548 6.0069324 0.20305085 2.8308749 5.5814852 259828.37 3 6
+ 60000 552.18712 -3197.1906 0.21473769 146.03543 0.22659924 559 564 6.0069324 0.20126667 2.8308749 5.5814852 263208.58 3 6
+Loop time of 0.239681 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]
+ 60000 552.18712 -3197.1906 0.21473769 146.03543 0.22659924 559 564 6.0069324 0.20126667 2.8308749 5.5814852 263208.58 3 6
+ 60015 552.18712 -3217.9157 0.21473769 146.03543 0.22659924 559 564 6.0069324 0.20121636 2.8308749 5.5814852 263208.58 3 6
+Loop time of 0.00685382 on 4 procs for 15 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]
+ 60000 552.18712 -3197.1906 0.21473769 146.03543 0.22659924 559 564 6.0069324 0.20126667 2.8308749 5.5814852 263208.58 3 6
+ 61000 450.24979 -3197.259 0.20870055 126.94235 0.2289845 412 411 6.0069324 0.20103279 2.8308749 5.5814852 267126.63 3 6
+Loop time of 0.239598 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]
+ 61000 450.24979 -3197.259 0.20870055 126.94235 0.2289845 412 411 6.0069324 0.20103279 2.8308749 5.5814852 267126.63 3 6
+ 61014 450.24979 -3217.9146 0.20870055 126.94235 0.2289845 412 411 6.0069324 0.20098666 2.8308749 5.5814852 267126.63 3 6
+Loop time of 0.00683248 on 4 procs for 14 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]
+ 61000 450.24979 -3197.259 0.20870055 126.94235 0.2289845 412 411 6.0069324 0.20103279 2.8308749 5.5814852 267126.63 3 6
+ 62000 506.89399 -3197.4659 0.20762728 123.81933 0.22940595 256 267 6.0069324 0.20074194 2.8308749 5.5814852 270687.24 3 6
+Loop time of 0.238224 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]
+ 62000 506.89399 -3197.4659 0.20762728 123.81933 0.22940595 256 267 6.0069324 0.20074194 2.8308749 5.5814852 270687.24 3 6
+ 62014 506.89399 -3217.9156 0.20762728 123.81933 0.22940595 256 267 6.0069324 0.20069662 2.8308749 5.5814852 270687.24 3 6
+Loop time of 0.00685287 on 4 procs for 14 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]
+ 62000 506.89399 -3197.4659 0.20762728 123.81933 0.22940595 256 267 6.0069324 0.20074194 2.8308749 5.5814852 270687.24 3 6
+ 63000 510.04068 -3196.8255 0.063053561 4.320671 0.28044671 112 123 6.0069324 0.19930159 2.8308749 5.5814852 274694.1 3 6
+Loop time of 0.238676 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]
+ 63000 510.04068 -3196.8255 0.063053561 4.320671 0.28044671 112 123 6.0069324 0.19930159 2.8308749 5.5814852 274694.1 3 6
+ 63014 510.04068 -3217.9141 0.063053561 4.320671 0.28044671 112 123 6.0069324 0.19925731 2.8308749 5.5814852 274694.1 3 6
+Loop time of 0.00670481 on 4 procs for 14 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]
+ 63000 510.04068 -3196.8255 0.063053561 4.320671 0.28044671 112 123 6.0069324 0.19930159 2.8308749 5.5814852 274694.1 3 6
+ 64000 501.25574 -3197.7101 0.083024533 6.8683042 0.27396274 286 119 6.0069324 0.2 2.8308749 5.5814852 276114.67 3 6
+Loop time of 0.238342 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]
+ 64000 501.25574 -3197.7101 0.083024533 6.8683042 0.27396274 286 119 6.0069324 0.2 2.8308749 5.5814852 276114.67 3 6
+ 64014 501.25574 -3217.9141 0.083024533 6.8683042 0.27396274 286 119 6.0069324 0.19995626 2.8308749 5.5814852 276114.67 3 6
+Loop time of 0.00604939 on 4 procs for 14 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]
+ 64000 501.25574 -3197.7101 0.083024533 6.8683042 0.27396274 286 119 6.0069324 0.2 2.8308749 5.5814852 276114.67 3 6
+ 65000 476.31749 -3199.3383 0.15323867 35.04097 0.24983402 267 260 6.0069324 0.19838462 2.8308749 5.5814852 282281.34 3 6
+Loop time of 0.239458 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]
+ 65000 476.31749 -3199.3383 0.15323867 35.04097 0.24983402 267 260 6.0069324 0.19838462 2.8308749 5.5814852 282281.34 3 6
+ 65014 476.31749 -3217.913 0.15323867 35.04097 0.24983402 267 260 6.0069324 0.1983419 2.8308749 5.5814852 282281.34 3 6
+Loop time of 0.00661784 on 4 procs for 14 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]
+ 65000 476.31749 -3199.3383 0.15323867 35.04097 0.24983402 267 260 6.0069324 0.19838462 2.8308749 5.5814852 282281.34 3 6
+ 66000 515.81365 -3198.7056 0.21680106 153.19903 0.22577823 416 415 6.0069324 0.19919697 2.8308749 5.5814852 284618.61 3 6
+Loop time of 0.239712 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]
+ 66000 515.81365 -3198.7056 0.21680106 153.19903 0.22577823 416 415 6.0069324 0.19919697 2.8308749 5.5814852 284618.61 3 6
+ 66014 515.81365 -3217.9165 0.21680106 153.19903 0.22577823 416 415 6.0069324 0.19915472 2.8308749 5.5814852 284618.61 3 6
+Loop time of 0.00680089 on 4 procs for 14 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]
+ 66000 515.81365 -3198.7056 0.21680106 153.19903 0.22577823 416 415 6.0069324 0.19919697 2.8308749 5.5814852 284618.61 3 6
+ 67000 484.31519 -3197.7852 0.13298902 21.901246 0.25702524 275 567 6.0069324 0.19846269 2.8308749 5.5814852 289586.09 3 6
+Loop time of 0.239938 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]
+ 67000 484.31519 -3197.7852 0.13298902 21.901246 0.25702524 275 567 6.0069324 0.19846269 2.8308749 5.5814852 289586.09 3 6
+ 67014 484.31519 -3217.9146 0.13298902 21.901246 0.25702524 275 567 6.0069324 0.19842123 2.8308749 5.5814852 289586.09 3 6
+Loop time of 0.00659657 on 4 procs for 14 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]
+ 67000 484.31519 -3197.7852 0.13298902 21.901246 0.25702524 275 567 6.0069324 0.19846269 2.8308749 5.5814852 289586.09 3 6
+ 68000 484.02912 -3199.084 0.23443259 230.66083 0.21863699 412 423 6.0069324 0.19722059 2.8308749 5.5814852 298036.66 3 6
+Loop time of 0.240483 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]
+ 68000 484.02912 -3199.084 0.23443259 230.66083 0.21863699 412 423 6.0069324 0.19722059 2.8308749 5.5814852 298036.66 3 6
+ 68014 484.02912 -3217.9156 0.23443259 230.66083 0.21863699 412 423 6.0069324 0.19717999 2.8308749 5.5814852 298036.66 3 6
+Loop time of 0.00666052 on 4 procs for 14 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]
+ 68000 484.02912 -3199.084 0.23443259 230.66083 0.21863699 412 423 6.0069324 0.19722059 2.8308749 5.5814852 298036.66 3 6
+ 69000 516.84151 -3198.3447 0.20394137 113.66746 0.23084747 119 400 6.0069324 0.19605797 2.8308749 5.5814852 302894.58 3 6
+Loop time of 0.23984 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]
+ 69000 516.84151 -3198.3447 0.20394137 113.66746 0.23084747 119 400 6.0069324 0.19605797 2.8308749 5.5814852 302894.58 3 6
+ 69015 516.84151 -3217.9163 0.20394137 113.66746 0.23084747 119 400 6.0069324 0.19601536 2.8308749 5.5814852 302894.58 3 6
+Loop time of 0.0070501 on 4 procs for 15 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]
+ 69000 516.84151 -3198.3447 0.20394137 113.66746 0.23084747 119 400 6.0069324 0.19605797 2.8308749 5.5814852 302894.58 3 6
+ 70000 521.52008 -3198.1925 0.26533657 472.57625 0.2055223 128 139 6.0069324 0.19471429 2.8308749 5.5814852 308489.53 3 6
+Loop time of 0.240016 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]
+ 70000 521.52008 -3198.1925 0.26533657 472.57625 0.2055223 128 139 6.0069324 0.19471429 2.8308749 5.5814852 308489.53 3 6
+ 70014 521.52008 -3217.9145 0.26533657 472.57625 0.2055223 128 139 6.0069324 0.19467535 2.8308749 5.5814852 308489.53 3 6
+Loop time of 0.00656152 on 4 procs for 14 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]
+ 70000 521.52008 -3198.1925 0.26533657 472.57625 0.2055223 128 139 6.0069324 0.19471429 2.8308749 5.5814852 308489.53 3 6
+ 71000 456.91639 -3199.2364 0.030609593 2.0348424 0.29067211 555 275 6.0069324 0.19753521 2.8308749 5.5814852 308872.53 3 6
+Loop time of 0.238921 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]
+ 71000 456.91639 -3199.2364 0.030609593 2.0348424 0.29067211 555 275 6.0069324 0.19753521 2.8308749 5.5814852 308872.53 3 6
+ 71016 456.91639 -3217.9154 0.030609593 2.0348424 0.29067211 555 275 6.0069324 0.19749071 2.8308749 5.5814852 308872.53 3 6
+Loop time of 0.00665921 on 4 procs for 16 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]
+ 71000 456.91639 -3199.2364 0.030609593 2.0348424 0.29067211 555 275 6.0069324 0.19753521 2.8308749 5.5814852 308872.53 3 6
+ 72000 505.77427 -3198.8053 0.011213996 1.2972748 0.29661672 275 567 6.0069324 0.20022222 2.8308749 5.5814852 308922.44 3 6
+Loop time of 0.238494 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]
+ 72000 505.77427 -3198.8053 0.011213996 1.2972748 0.29661672 275 567 6.0069324 0.20022222 2.8308749 5.5814852 308922.44 3 6
+ 72014 505.77427 -3217.9154 0.011213996 1.2972748 0.29661672 275 567 6.0069324 0.2001833 2.8308749 5.5814852 308922.44 3 6
+Loop time of 0.00666285 on 4 procs for 14 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]
+ 72000 505.77427 -3198.8053 0.011213996 1.2972748 0.29661672 275 567 6.0069324 0.20022222 2.8308749 5.5814852 308922.44 3 6
+ 73000 505.42011 -3198.5745 0.241922 274.45031 0.21553199 262 544 6.0069324 0.19989041 2.8308749 5.5814852 312318.94 3 6
+Loop time of 0.240884 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]
+ 73000 505.42011 -3198.5745 0.241922 274.45031 0.21553199 262 544 6.0069324 0.19989041 2.8308749 5.5814852 312318.94 3 6
+ 73014 505.42011 -3217.9145 0.241922 274.45031 0.21553199 262 544 6.0069324 0.19985208 2.8308749 5.5814852 312318.94 3 6
+Loop time of 0.00641418 on 4 procs for 14 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]
+ 73000 505.42011 -3198.5745 0.241922 274.45031 0.21553199 262 544 6.0069324 0.19989041 2.8308749 5.5814852 312318.94 3 6
+ 74000 525.14325 -3197.1366 0.091100202 8.2841621 0.27129682 403 404 6.0069324 0.19893243 2.8308749 5.5814852 316054.12 3 6
+Loop time of 0.239838 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]
+ 74000 525.14325 -3197.1366 0.091100202 8.2841621 0.27129682 403 404 6.0069324 0.19893243 2.8308749 5.5814852 316054.12 3 6
+ 74014 525.14325 -3217.9164 0.091100202 8.2841621 0.27129682 403 404 6.0069324 0.1988948 2.8308749 5.5814852 316054.12 3 6
+Loop time of 0.00640178 on 4 procs for 14 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]
+ 74000 525.14325 -3197.1366 0.091100202 8.2841621 0.27129682 403 404 6.0069324 0.19893243 2.8308749 5.5814852 316054.12 3 6
+ 75000 529.75357 -3196.8628 0.27468673 587.107 0.20138617 262 553 6.0069324 0.1974 2.8308749 5.5814852 320757.39 3 6
+Loop time of 0.241485 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]
+ 75000 529.75357 -3196.8628 0.27468673 587.107 0.20138617 262 553 6.0069324 0.1974 2.8308749 5.5814852 320757.39 3 6
+ 75015 529.75357 -3217.9131 0.27468673 587.107 0.20138617 262 553 6.0069324 0.19736053 2.8308749 5.5814852 320757.39 3 6
+Loop time of 0.00727272 on 4 procs for 15 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]
+ 75000 529.75357 -3196.8628 0.27468673 587.107 0.20138617 262 553 6.0069324 0.1974 2.8308749 5.5814852 320757.39 3 6
+ 76000 494.67435 -3197.324 0.026840032 1.8643837 0.29183693 555 275 6.0069324 0.19744737 2.8308749 5.5814852 321584.51 3 6
+Loop time of 0.246189 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]
+ 76000 494.67435 -3197.324 0.026840032 1.8643837 0.29183693 555 275 6.0069324 0.19744737 2.8308749 5.5814852 321584.51 3 6
+ 76015 494.67435 -3217.9124 0.026840032 1.8643837 0.29183693 555 275 6.0069324 0.19740841 2.8308749 5.5814852 321584.51 3 6
+Loop time of 0.00856209 on 4 procs for 15 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]
+ 76000 494.67435 -3197.324 0.026840032 1.8643837 0.29183693 555 275 6.0069324 0.19744737 2.8308749 5.5814852 321584.51 3 6
+ 77000 478.4265 -3198.3778 0.099536255 10.075814 0.26848366 283 272 6.0069324 0.19802597 2.8308749 5.5814852 323214.67 3 6
+Loop time of 0.244489 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]
+ 77000 478.4265 -3198.3778 0.099536255 10.075814 0.26848366 283 272 6.0069324 0.19802597 2.8308749 5.5814852 323214.67 3 6
+ 77014 478.4265 -3217.9158 0.099536255 10.075814 0.26848366 283 272 6.0069324 0.19798998 2.8308749 5.5814852 323214.67 3 6
+Loop time of 0.00662231 on 4 procs for 14 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]
+ 77000 478.4265 -3198.3778 0.099536255 10.075814 0.26848366 283 272 6.0069324 0.19802597 2.8308749 5.5814852 323214.67 3 6
+ 78000 501.53059 -3199.1386 0.013408722 1.3650665 0.29595005 420 431 6.0069324 0.19646154 2.8308749 5.5814852 328321.34 3 6
+Loop time of 0.238902 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]
+ 78000 501.53059 -3199.1386 0.013408722 1.3650665 0.29595005 420 431 6.0069324 0.19646154 2.8308749 5.5814852 328321.34 3 6
+ 78014 501.53059 -3217.9148 0.013408722 1.3650665 0.29595005 420 431 6.0069324 0.19642628 2.8308749 5.5814852 328321.34 3 6
+Loop time of 0.00632596 on 4 procs for 14 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]
+ 78000 501.53059 -3199.1386 0.013408722 1.3650665 0.29595005 420 431 6.0069324 0.19646154 2.8308749 5.5814852 328321.34 3 6
+ 79000 500.93975 -3198.0923 0.116093 14.796691 0.26287499 428 543 6.0069324 0.19506329 2.8308749 5.5814852 333018.93 3 6
+Loop time of 0.238987 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]
+ 79000 500.93975 -3198.0923 0.116093 14.796691 0.26287499 428 543 6.0069324 0.19506329 2.8308749 5.5814852 333018.93 3 6
+ 79014 500.93975 -3217.9148 0.116093 14.796691 0.26287499 428 543 6.0069324 0.19502873 2.8308749 5.5814852 333018.93 3 6
+Loop time of 0.00644779 on 4 procs for 14 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]
+ 79000 500.93975 -3198.0923 0.116093 14.796691 0.26287499 428 543 6.0069324 0.19506329 2.8308749 5.5814852 333018.93 3 6
+ 80000 521.43512 -3199.0487 0.15540998 36.852069 0.2490506 253 136 6.0069324 0.193625 2.8308749 5.5814852 337716.24 3 6
+Loop time of 0.238806 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]
+ 80000 521.43512 -3199.0487 0.15540998 36.852069 0.2490506 253 136 6.0069324 0.193625 2.8308749 5.5814852 337716.24 3 6
+ 80014 521.43512 -3217.9164 0.15540998 36.852069 0.2490506 253 136 6.0069324 0.19359112 2.8308749 5.5814852 337716.24 3 6
+Loop time of 0.00644064 on 4 procs for 14 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]
+ 80000 521.43512 -3199.0487 0.15540998 36.852069 0.2490506 253 136 6.0069324 0.193625 2.8308749 5.5814852 337716.24 3 6
+ 81000 533.69561 -3197.1168 0.24520241 296.1616 0.21415781 575 280 6.0069324 0.19222222 2.8308749 5.5814852 343062.81 3 6
+Loop time of 0.240714 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]
+ 81000 533.69561 -3197.1168 0.24520241 296.1616 0.21415781 575 280 6.0069324 0.19222222 2.8308749 5.5814852 343062.81 3 6
+ 81015 533.69561 -3217.9142 0.24520241 296.1616 0.21415781 575 280 6.0069324 0.19218663 2.8308749 5.5814852 343062.81 3 6
+Loop time of 0.00675607 on 4 procs for 15 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]
+ 81000 533.69561 -3197.1168 0.24520241 296.1616 0.21415781 575 280 6.0069324 0.19222222 2.8308749 5.5814852 343062.81 3 6
+ 82000 522.58314 -3197.6951 0.34607713 3078.2225 0.16645154 569 570 6.0069324 0.19130488 2.8308749 5.5814852 347897.31 3 6
+Loop time of 0.239094 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]
+ 82000 522.58314 -3197.6951 0.34607713 3078.2225 0.16645154 569 570 6.0069324 0.19130488 2.8308749 5.5814852 347897.31 3 6
+ 82014 522.58314 -3217.917 0.34607713 3078.2225 0.16645154 569 570 6.0069324 0.19127222 2.8308749 5.5814852 347897.31 3 6
+Loop time of 0.00662041 on 4 procs for 14 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]
+ 82000 522.58314 -3197.6951 0.34607713 3078.2225 0.16645154 569 570 6.0069324 0.19130488 2.8308749 5.5814852 347897.31 3 6
+ 83000 518.24081 -3196.6457 0.27556929 599.25687 0.20099136 512 523 6.0069324 0.18978313 2.8308749 5.5814852 355870.51 3 6
+Loop time of 0.240335 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]
+ 83000 518.24081 -3196.6457 0.27556929 599.25687 0.20099136 512 523 6.0069324 0.18978313 2.8308749 5.5814852 355870.51 3 6
+ 83015 518.24081 -3217.9151 0.27556929 599.25687 0.20099136 512 523 6.0069324 0.18974884 2.8308749 5.5814852 355870.51 3 6
+Loop time of 0.00710487 on 4 procs for 15 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]
+ 83000 518.24081 -3196.6457 0.27556929 599.25687 0.20099136 512 523 6.0069324 0.18978313 2.8308749 5.5814852 355870.51 3 6
+ 84000 524.77376 -3198.1195 0.32714869 1983.8549 0.17638944 275 567 6.0069324 0.189 2.8308749 5.5814852 358623.76 3 6
+Loop time of 0.239069 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]
+ 84000 524.77376 -3198.1195 0.32714869 1983.8549 0.17638944 275 567 6.0069324 0.189 2.8308749 5.5814852 358623.76 3 6
+ 84014 524.77376 -3217.9145 0.32714869 1983.8549 0.17638944 275 567 6.0069324 0.18896851 2.8308749 5.5814852 358623.76 3 6
+Loop time of 0.00662088 on 4 procs for 14 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]
+ 84000 524.77376 -3198.1195 0.32714869 1983.8549 0.17638944 275 567 6.0069324 0.189 2.8308749 5.5814852 358623.76 3 6
+ 85000 485.77334 -3199.2545 0.0027767134 1.0665667 0.29916583 275 567 6.0069324 0.19102353 2.8308749 5.5814852 362933.93 3 6
+Loop time of 0.240117 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]
+ 85000 485.77334 -3199.2545 0.0027767134 1.0665667 0.29916583 275 567 6.0069324 0.19102353 2.8308749 5.5814852 362933.93 3 6
+ 85014 485.77334 -3217.9148 0.0027767134 1.0665667 0.29916583 275 567 6.0069324 0.19099207 2.8308749 5.5814852 362933.93 3 6
+Loop time of 0.00642967 on 4 procs for 14 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]
+ 85000 485.77334 -3199.2545 0.0027767134 1.0665667 0.29916583 275 567 6.0069324 0.19102353 2.8308749 5.5814852 362933.93 3 6
+ 86000 520.32504 -3197.8586 0.34074416 2719.857 0.16931052 572 403 6.0069324 0.19181395 2.8308749 5.5814852 366756.98 3 6
+Loop time of 0.23899 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]
+ 86000 520.32504 -3197.8586 0.34074416 2719.857 0.16931052 572 403 6.0069324 0.19181395 2.8308749 5.5814852 366756.98 3 6
+ 86014 520.32504 -3217.9156 0.34074416 2719.857 0.16931052 572 403 6.0069324 0.19178273 2.8308749 5.5814852 366756.98 3 6
+Loop time of 0.00667548 on 4 procs for 14 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]
+ 86000 520.32504 -3197.8586 0.34074416 2719.857 0.16931052 572 403 6.0069324 0.19181395 2.8308749 5.5814852 366756.98 3 6
+ 87000 492.06505 -3198.9245 0.35508545 3794.0215 0.16150733 282 284 6.0069324 0.19096552 2.8308749 5.5814852 370757.69 3 6
+Loop time of 0.241176 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]
+ 87000 492.06505 -3198.9245 0.35508545 3794.0215 0.16150733 282 284 6.0069324 0.19096552 2.8308749 5.5814852 370757.69 3 6
+ 87014 492.06505 -3217.9141 0.35508545 3794.0215 0.16150733 282 284 6.0069324 0.19093479 2.8308749 5.5814852 370757.69 3 6
+Loop time of 0.00634283 on 4 procs for 14 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]
+ 87000 492.06505 -3198.9245 0.35508545 3794.0215 0.16150733 282 284 6.0069324 0.19096552 2.8308749 5.5814852 370757.69 3 6
+ 88000 519.1972 -3199.3527 0.27684477 617.26171 0.20041941 411 416 6.0069324 0.19025 2.8308749 5.5814852 375119.46 3 6
+Loop time of 0.239888 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]
+ 88000 519.1972 -3199.3527 0.27684477 617.26171 0.20041941 411 416 6.0069324 0.19025 2.8308749 5.5814852 375119.46 3 6
+ 88014 519.1972 -3217.9152 0.27684477 617.26171 0.20041941 411 416 6.0069324 0.19021974 2.8308749 5.5814852 375119.46 3 6
+Loop time of 0.00669366 on 4 procs for 14 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]
+ 88000 519.1972 -3199.3527 0.27684477 617.26171 0.20041941 411 416 6.0069324 0.19025 2.8308749 5.5814852 375119.46 3 6
+ 89000 524.26014 -3198.5355 0.3001416 1059.9631 0.18966948 432 431 6.0069324 0.19220225 2.8308749 5.5814852 375708.76 3 6
+Loop time of 0.241238 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]
+ 89000 524.26014 -3198.5355 0.3001416 1059.9631 0.18966948 432 431 6.0069324 0.19220225 2.8308749 5.5814852 375708.76 3 6
+ 89014 524.26014 -3217.9158 0.3001416 1059.9631 0.18966948 432 431 6.0069324 0.19217202 2.8308749 5.5814852 375708.76 3 6
+Loop time of 0.00632095 on 4 procs for 14 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]
+ 89000 524.26014 -3198.5355 0.3001416 1059.9631 0.18966948 432 431 6.0069324 0.19220225 2.8308749 5.5814852 375708.76 3 6
+ 90000 498.11952 -3200.0434 0.2737435 574.39407 0.20180726 96 141 6.0069324 0.19212222 2.8308749 5.5814852 380021.68 3 6
+Loop time of 0.240092 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]
+ 90000 498.11952 -3200.0434 0.2737435 574.39407 0.20180726 96 141 6.0069324 0.19212222 2.8308749 5.5814852 380021.68 3 6
+ 90013 498.11952 -3217.9105 0.2737435 574.39407 0.20180726 96 141 6.0069324 0.19209448 2.8308749 5.5814852 380021.68 3 6
+Loop time of 0.00614023 on 4 procs for 13 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]
+ 90000 498.11952 -3200.0434 0.2737435 574.39407 0.20180726 96 141 6.0069324 0.19212222 2.8308749 5.5814852 380021.68 3 6
+ 91000 518.719 -3198.4974 0 1 0.38452588 128 139 6.0069324 0.19137363 2.8308749 5.5814852 386325.64 3 6
+Loop time of 0.240887 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]
+ 91000 518.719 -3198.4974 0 1 0.38452588 128 139 6.0069324 0.19137363 2.8308749 5.5814852 386325.64 3 6
+ 91015 518.719 -3217.9166 0 1 0.38452588 128 139 6.0069324 0.19134209 2.8308749 5.5814852 386325.64 3 6
+Loop time of 0.00709724 on 4 procs for 15 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]
+ 91000 518.719 -3198.4974 0 1 0.38452588 128 139 6.0069324 0.19137363 2.8308749 5.5814852 386325.64 3 6
+ 92000 489.88256 -3197.3306 0.22381505 180.28261 0.22296478 554 556 6.0069324 0.19186957 2.8308749 5.5814852 387621.28 3 6
+Loop time of 0.241415 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]
+ 92000 489.88256 -3197.3306 0.22381505 180.28261 0.22296478 554 556 6.0069324 0.19186957 2.8308749 5.5814852 387621.28 3 6
+ 92014 489.88256 -3217.9165 0.22381505 180.28261 0.22296478 554 556 6.0069324 0.19184037 2.8308749 5.5814852 387621.28 3 6
+Loop time of 0.00761282 on 4 procs for 14 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]
+ 92000 489.88256 -3197.3306 0.22381505 180.28261 0.22296478 554 556 6.0069324 0.19186957 2.8308749 5.5814852 387621.28 3 6
+ 93000 470.86218 -3199.1842 0 1 0.35506745 275 567 6.0069324 0.19339785 2.8308749 5.5814852 388253.6 3 6
+Loop time of 0.242326 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]
+ 93000 470.86218 -3199.1842 0 1 0.35506745 275 567 6.0069324 0.19339785 2.8308749 5.5814852 388253.6 3 6
+ 93015 470.86218 -3217.9141 0 1 0.35506745 275 567 6.0069324 0.19336666 2.8308749 5.5814852 388253.6 3 6
+Loop time of 0.006814 on 4 procs for 15 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]
+ 93000 470.86218 -3199.1842 0 1 0.35506745 275 567 6.0069324 0.19339785 2.8308749 5.5814852 388253.6 3 6
+ 94000 500.15102 -3200.7696 0.21997392 164.90621 0.2245099 547 552 6.0069324 0.19425532 2.8308749 5.5814852 390879.44 3 6
+Loop time of 0.239427 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]
+ 94000 500.15102 -3200.7696 0.21997392 164.90621 0.2245099 547 552 6.0069324 0.19425532 2.8308749 5.5814852 390879.44 3 6
+ 94014 500.15102 -3217.9143 0.21997392 164.90621 0.2245099 547 552 6.0069324 0.19422639 2.8308749 5.5814852 390879.44 3 6
+Loop time of 0.00671053 on 4 procs for 14 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]
+ 94000 500.15102 -3200.7696 0.21997392 164.90621 0.2245099 547 552 6.0069324 0.19425532 2.8308749 5.5814852 390879.44 3 6
+ 95000 490.13908 -3196.2455 0.24009629 263.06397 0.21629301 404 411 6.0069324 0.19329474 2.8308749 5.5814852 393723.55 3 6
+Loop time of 0.240334 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]
+ 95000 490.13908 -3196.2455 0.24009629 263.06397 0.21629301 404 411 6.0069324 0.19329474 2.8308749 5.5814852 393723.55 3 6
+ 95014 490.13908 -3217.9156 0.24009629 263.06397 0.21629301 404 411 6.0069324 0.19326626 2.8308749 5.5814852 393723.55 3 6
+Loop time of 0.00659347 on 4 procs for 14 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]
+ 95000 490.13908 -3196.2455 0.24009629 263.06397 0.21629301 404 411 6.0069324 0.19329474 2.8308749 5.5814852 393723.55 3 6
+ 96000 487.33226 -3198.9357 0 1 0.37635306 275 567 6.0069324 0.19283333 2.8308749 5.5814852 397503.57 3 6
+Loop time of 0.239501 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]
+ 96000 487.33226 -3198.9357 0 1 0.37635306 275 567 6.0069324 0.19283333 2.8308749 5.5814852 397503.57 3 6
+ 96016 487.33226 -3217.9155 0 1 0.37635306 275 567 6.0069324 0.1928012 2.8308749 5.5814852 397503.57 3 6
+Loop time of 0.00752759 on 4 procs for 16 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]
+ 96000 487.33226 -3198.9357 0 1 0.37635306 275 567 6.0069324 0.19283333 2.8308749 5.5814852 397503.57 3 6
+ 97000 474.12539 -3199.8196 0.35035926 3399.8667 0.16411988 543 577 6.0069324 0.19291753 2.8308749 5.5814852 402607.83 3 6
+Loop time of 0.241445 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]
+ 97000 474.12539 -3199.8196 0.35035926 3399.8667 0.16411988 543 577 6.0069324 0.19291753 2.8308749 5.5814852 402607.83 3 6
+ 97014 474.12539 -3217.9109 0.35035926 3399.8667 0.16411988 543 577 6.0069324 0.19288969 2.8308749 5.5814852 402607.83 3 6
+Loop time of 0.00657606 on 4 procs for 14 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]
+ 97000 474.12539 -3199.8196 0.35035926 3399.8667 0.16411988 543 577 6.0069324 0.19291753 2.8308749 5.5814852 402607.83 3 6
+ 98000 529.81368 -3198.9595 0.31966379 1667.4989 0.18016803 219 257 6.0069324 0.19226531 2.8308749 5.5814852 408103.05 3 6
+Loop time of 0.239002 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]
+ 98000 529.81368 -3198.9595 0.31966379 1667.4989 0.18016803 219 257 6.0069324 0.19226531 2.8308749 5.5814852 408103.05 3 6
+ 98013 529.81368 -3217.9152 0.31966379 1667.4989 0.18016803 219 257 6.0069324 0.1922398 2.8308749 5.5814852 408103.05 3 6
+Loop time of 0.00612688 on 4 procs for 13 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]
+ 98000 529.81368 -3198.9595 0.31966379 1667.4989 0.18016803 219 257 6.0069324 0.19226531 2.8308749 5.5814852 408103.05 3 6
+ 99000 521.70465 -3199.4429 0.069318452 4.9968747 0.27842895 404 399 6.0069324 0.19121212 2.8308749 5.5814852 410506.47 3 6
+Loop time of 0.239787 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]
+ 99000 521.70465 -3199.4429 0.069318452 4.9968747 0.27842895 404 399 6.0069324 0.19121212 2.8308749 5.5814852 410506.47 3 6
+ 99015 521.70465 -3217.9162 0.069318452 4.9968747 0.27842895 404 399 6.0069324 0.19118315 2.8308749 5.5814852 410506.47 3 6
+Loop time of 0.00708294 on 4 procs for 15 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]
+ 99000 521.70465 -3199.4429 0.069318452 4.9968747 0.27842895 404 399 6.0069324 0.19121212 2.8308749 5.5814852 410506.47 3 6
+ 100000 513.67972 -3199.6382 0.37912459 6628.3181 0.14750449 554 556 6.0069324 0.19018 2.8308749 5.5814852 415873.98 3 6
+Loop time of 0.239291 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]
+ 100000 513.67972 -3199.6382 0.37912459 6628.3181 0.14750449 554 556 6.0069324 0.19018 2.8308749 5.5814852 415873.98 3 6
+ 100015 513.67972 -3217.9139 0.37912459 6628.3181 0.14750449 554 556 6.0069324 0.19015148 2.8308749 5.5814852 415873.98 3 6
+Loop time of 0.00685054 on 4 procs for 15 steps with 577 atoms
+
+Final hyper stats ...
+
+Cummulative quantities for fix hyper:
+ hyper time = 415874
+ event timesteps = 3
+ # of atoms in events = 6
+Quantities for this hyper run:
+ event timesteps = 3
+ # of atoms in events = 6
+ max length of any bond = 5.58149
+ max drift distance of any atom = 2.83087
+ fraction of steps & bonds with zero bias = 0.19018
+Current quantities:
+ ave bonds/atom = 6.00693
+
+Loop time of 25.9832 on 4 procs for 100000 steps with 577 atoms
+
+Performance: 1662.613 ns/day, 0.014 hours/ns, 3848.641 timesteps/s
+100.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+Hyper stats:
+ Dynamics time (%) = 24.8121 (95.4928)
+ Quench time (%) = 0.715868 (2.75512)
+ Other time (%) = 0.879782 (3.38596)
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 17.954 | 18.433 | 18.794 | 8.4 | 70.94
+Neigh | 1.4147 | 1.4662 | 1.5092 | 2.9 | 5.64
+Comm | 2.0975 | 2.2026 | 2.3076 | 5.6 | 8.48
+Output | 0.0030999 | 0.0031937 | 0.003444 | 0.3 | 0.01
+Modify | 2.6366 | 2.9984 | 3.4835 | 19.3 | 11.54
+Other | | 0.8798 | | | 3.39
+
+Nlocal: 144.25 ave 150 max 139 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost: 533.25 ave 538 max 527 min
+Histogram: 1 0 0 0 1 0 0 0 1 1
+Neighs: 3359.25 ave 3495 max 3245 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+
+Total # of neighbors = 13437
+Ave neighs/atom = 23.2877
+Neighbor list builds = 10069
+Dangerous builds = 0
+Total wall time: 0:00:26
diff --git a/examples/hyper/log.hyper.local.g++.16 b/examples/hyper/log.hyper.local.g++.16
new file mode 100644
index 0000000000000000000000000000000000000000..480fcf0248c2d05c84afb5dce2c24f3f1f5b36a9
--- /dev/null
+++ b/examples/hyper/log.hyper.local.g++.16
@@ -0,0 +1,993 @@
+LAMMPS (10 Oct 2018)
+# 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 = 0.00108504 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 ${ny} 1
+replicate 8 8 1
+ orthogonal box = (0 0 -0.392) to (188.16 188.16 19.6)
+ 4 by 4 by 1 MPI processor grid
+ 36864 atoms
+ Time spent = 0.0028758 secs
+
+# add adatoms
+
+include adatoms.list.${add}
+include adatoms.list.37K
+create_atoms 1 single 27.5 9.5 4
+Created 1 atoms
+ Time spent = 0.000183105 secs
+create_atoms 1 single 16 9 4
+Created 1 atoms
+ Time spent = 0.000178099 secs
+create_atoms 1 single 10 12 4
+Created 1 atoms
+ Time spent = 0.000179768 secs
+create_atoms 1 single 31 44 4
+Created 1 atoms
+ Time spent = 0.000184059 secs
+create_atoms 1 single 13 17 4
+Created 1 atoms
+ Time spent = 0.000173807 secs
+create_atoms 1 single 8.5 28.5 4
+Created 1 atoms
+ Time spent = 0.000167847 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 = 0.000169992 secs
+create_atoms 1 single 37.5 4.5 4
+Created 1 atoms
+ Time spent = 0.000166178 secs
+create_atoms 1 single 41.5 47.5 4
+Created 1 atoms
+ Time spent = 0.000172138 secs
+create_atoms 1 single 20.5 37.5 4
+Created 1 atoms
+ Time spent = 0.000165939 secs
+create_atoms 1 single 5 8 4
+Created 1 atoms
+ Time spent = 0.00018096 secs
+create_atoms 1 single 2.5 16.5 4
+Created 1 atoms
+ Time spent = 0.000165939 secs
+create_atoms 1 single 38.5 45.5 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 9 0 4
+Created 1 atoms
+ Time spent = 0.000168085 secs
+create_atoms 1 single 39 32 4
+Created 1 atoms
+ Time spent = 0.000170946 secs
+create_atoms 1 single 45.5 11.5 4
+Created 1 atoms
+ Time spent = 0.00018096 secs
+create_atoms 1 single 40 0 4
+Created 1 atoms
+ Time spent = 0.000168085 secs
+create_atoms 1 single 44.5 2.5 4
+Created 1 atoms
+ Time spent = 0.000165939 secs
+create_atoms 1 single 4.5 44.5 4
+Created 1 atoms
+ Time spent = 0.000168085 secs
+create_atoms 1 single 24.5 13.5 4
+Created 1 atoms
+ Time spent = 0.000165939 secs
+create_atoms 1 single 47.5 23.5 4
+Created 1 atoms
+ Time spent = 0.00018096 secs
+create_atoms 1 single 1 20 4
+Created 1 atoms
+ Time spent = 0.000166893 secs
+create_atoms 1 single 38.5 31.5 4
+Created 1 atoms
+ Time spent = 0.000168085 secs
+create_atoms 1 single 12.5 12.5 4
+Created 1 atoms
+ Time spent = 0.000169992 secs
+create_atoms 1 single 2 27 4
+Created 1 atoms
+ Time spent = 0.000188828 secs
+create_atoms 1 single 21 5 4
+Created 1 atoms
+ Time spent = 0.000174999 secs
+create_atoms 1 single 47 12 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 32.5 46.5 4
+Created 1 atoms
+ Time spent = 0.000165939 secs
+create_atoms 1 single 9.5 40.5 4
+Created 1 atoms
+ Time spent = 0.000166893 secs
+create_atoms 1 single 8.5 2.5 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 41.5 22.5 4
+Created 1 atoms
+ Time spent = 0.000174046 secs
+create_atoms 1 single 29 11 4
+Created 1 atoms
+ Time spent = 0.000166893 secs
+create_atoms 1 single 3.5 3.5 4
+Created 1 atoms
+ Time spent = 0.000165224 secs
+create_atoms 1 single 5 21 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 46.5 31.5 4
+Created 1 atoms
+ Time spent = 0.000166178 secs
+create_atoms 1 single 35 46 4
+Created 1 atoms
+ Time spent = 0.000183105 secs
+create_atoms 1 single 40.5 41.5 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 10 22 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 43.5 14.5 4
+Created 1 atoms
+ Time spent = 0.000169992 secs
+create_atoms 1 single 42 42 4
+Created 1 atoms
+ Time spent = 0.000165939 secs
+create_atoms 1 single 4 26 4
+Created 1 atoms
+ Time spent = 0.000174999 secs
+create_atoms 1 single 19 34 4
+Created 1 atoms
+ Time spent = 0.000163078 secs
+create_atoms 1 single 33 9 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 0.5 45.5 4
+Created 1 atoms
+ Time spent = 0.000163078 secs
+create_atoms 1 single 30.5 32.5 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 25.5 5.5 4
+Created 1 atoms
+ Time spent = 0.000178099 secs
+create_atoms 1 single 47.5 39.5 4
+Created 1 atoms
+ Time spent = 0.000165939 secs
+create_atoms 1 single 15 13 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 21 21 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 14 28 4
+Created 1 atoms
+ Time spent = 0.000164986 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 = 0.000175953 secs
+create_atoms 1 single 11 35 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 20.5 45.5 4
+Created 1 atoms
+ Time spent = 0.000156879 secs
+create_atoms 1 single 30.5 31.5 4
+Created 1 atoms
+ Time spent = 0.000159979 secs
+create_atoms 1 single 32.5 2.5 4
+Created 1 atoms
+ Time spent = 0.000166178 secs
+create_atoms 1 single 21.5 3.5 4
+Created 1 atoms
+ Time spent = 0.000157833 secs
+create_atoms 1 single 23 12 4
+Created 1 atoms
+ Time spent = 0.000155926 secs
+create_atoms 1 single 4.5 33.5 4
+Created 1 atoms
+ Time spent = 0.000156879 secs
+create_atoms 1 single 46 43 4
+Created 1 atoms
+ Time spent = 0.000155926 secs
+create_atoms 1 single 42.5 45.5 4
+Created 1 atoms
+ Time spent = 0.000156879 secs
+create_atoms 1 single 4.5 10.5 4
+Created 1 atoms
+ Time spent = 0.000158072 secs
+create_atoms 1 single 33.5 15.5 4
+Created 1 atoms
+ Time spent = 0.000157833 secs
+create_atoms 1 single 24 5 4
+Created 1 atoms
+ Time spent = 0.000154018 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 = 0.000156164 secs
+create_atoms 1 single 45.5 28.5 4
+Created 1 atoms
+ Time spent = 0.000247002 secs
+create_atoms 1 single 44.5 5.5 4
+Created 1 atoms
+ Time spent = 0.000156164 secs
+create_atoms 1 single 27.5 46.5 4
+Created 1 atoms
+ Time spent = 0.000155926 secs
+create_atoms 1 single 44.5 12.5 4
+Created 1 atoms
+ Time spent = 0.000157833 secs
+create_atoms 1 single 12 41 4
+Created 1 atoms
+ Time spent = 0.000156879 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 = 0.00015521 secs
+create_atoms 1 single 1 44 4
+Created 1 atoms
+ Time spent = 0.000154972 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 = 0.000156879 secs
+create_atoms 1 single 3 33 4
+Created 1 atoms
+ Time spent = 0.000164032 secs
+create_atoms 1 single 15 10 4
+Created 1 atoms
+ Time spent = 0.0001719 secs
+create_atoms 1 single 28.5 22.5 4
+Created 1 atoms
+ Time spent = 0.000153065 secs
+create_atoms 1 single 43 1 4
+Created 1 atoms
+ Time spent = 0.000155926 secs
+create_atoms 1 single 3.5 0.5 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 41 37 4
+Created 1 atoms
+ Time spent = 0.000153065 secs
+create_atoms 1 single 18.5 43.5 4
+Created 1 atoms
+ Time spent = 0.000213146 secs
+create_atoms 1 single 17 27 4
+Created 1 atoms
+ Time spent = 0.000159979 secs
+create_atoms 1 single 3 5 4
+Created 1 atoms
+ Time spent = 0.000153065 secs
+create_atoms 1 single 18.5 23.5 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 31.5 14.5 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 41 31 4
+Created 1 atoms
+ Time spent = 0.000155926 secs
+create_atoms 1 single 22 3 4
+Created 1 atoms
+ Time spent = 0.00015521 secs
+create_atoms 1 single 14.5 40.5 4
+Created 1 atoms
+ Time spent = 0.000154018 secs
+create_atoms 1 single 9 38 4
+Created 1 atoms
+ Time spent = 0.000154018 secs
+create_atoms 1 single 36 42 4
+Created 1 atoms
+ Time spent = 0.000155926 secs
+create_atoms 1 single 33 22 4
+Created 1 atoms
+ Time spent = 0.000163078 secs
+create_atoms 1 single 15.5 47.5 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 3 0 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 25.5 27.5 4
+Created 1 atoms
+ Time spent = 0.000176907 secs
+create_atoms 1 single 2.5 28.5 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 29.5 28.5 4
+Created 1 atoms
+ Time spent = 0.000162125 secs
+create_atoms 1 single 44.5 18.5 4
+Created 1 atoms
+ Time spent = 0.000152826 secs
+create_atoms 1 single 26 40 4
+Created 1 atoms
+ Time spent = 0.000155926 secs
+create_atoms 1 single 41 27 4
+Created 1 atoms
+ Time spent = 0.000158072 secs
+create_atoms 1 single 39.5 5.5 4
+Created 1 atoms
+ Time spent = 0.000155926 secs
+create_atoms 1 single 3 38 4
+Created 1 atoms
+ Time spent = 0.000152826 secs
+create_atoms 1 single 35 29 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 11 19 4
+Created 1 atoms
+ Time spent = 0.000164986 secs
+create_atoms 1 single 18 1 4
+Created 1 atoms
+ Time spent = 0.000146866 secs
+create_atoms 1 single 39.5 40.5 4
+Created 1 atoms
+ Time spent = 0.000146866 secs
+create_atoms 1 single 46 17 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 1.5 23.5 4
+Created 1 atoms
+ Time spent = 0.000154018 secs
+create_atoms 1 single 28.5 23.5 4
+Created 1 atoms
+ Time spent = 0.000145912 secs
+create_atoms 1 single 10 28 4
+Created 1 atoms
+ Time spent = 0.000159979 secs
+create_atoms 1 single 19 47 4
+Created 1 atoms
+ Time spent = 0.000148058 secs
+create_atoms 1 single 10.5 16.5 4
+Created 1 atoms
+ Time spent = 0.000147104 secs
+create_atoms 1 single 38 45 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 42.5 41.5 4
+Created 1 atoms
+ Time spent = 0.000161886 secs
+create_atoms 1 single 47.5 42.5 4
+Created 1 atoms
+ Time spent = 0.000147104 secs
+create_atoms 1 single 38 7 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 10 44 4
+Created 1 atoms
+ Time spent = 0.000145912 secs
+create_atoms 1 single 29.5 27.5 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 45 30 4
+Created 1 atoms
+ Time spent = 0.000145912 secs
+create_atoms 1 single 3 9 4
+Created 1 atoms
+ Time spent = 0.000154018 secs
+create_atoms 1 single 8.5 35.5 4
+Created 1 atoms
+ Time spent = 0.000146151 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 = 0.000144958 secs
+create_atoms 1 single 7.5 8.5 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 32.5 41.5 4
+Created 1 atoms
+ Time spent = 0.000157833 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 = 0.000147104 secs
+create_atoms 1 single 2 40 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 25 24 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 47.5 6.5 4
+Created 1 atoms
+ Time spent = 0.000147104 secs
+create_atoms 1 single 39.5 28.5 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 17 21 4
+Created 1 atoms
+ Time spent = 0.000164032 secs
+create_atoms 1 single 32 43 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 16.5 29.5 4
+Created 1 atoms
+ Time spent = 0.000146151 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 = 0.000154018 secs
+create_atoms 1 single 39 22 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 24.5 36.5 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 33 31 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 35.5 35.5 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 14.5 34.5 4
+Created 1 atoms
+ Time spent = 0.000146866 secs
+create_atoms 1 single 34 28 4
+Created 1 atoms
+ Time spent = 0.000153065 secs
+create_atoms 1 single 37 41 4
+Created 1 atoms
+ Time spent = 0.000145912 secs
+create_atoms 1 single 33 46 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 27.5 28.5 4
+Created 1 atoms
+ Time spent = 0.000145197 secs
+create_atoms 1 single 40.5 22.5 4
+Created 1 atoms
+ Time spent = 0.000150919 secs
+create_atoms 1 single 27.5 1.5 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 12 2 4
+Created 1 atoms
+ Time spent = 0.000151873 secs
+create_atoms 1 single 36 43 4
+Created 1 atoms
+ Time spent = 0.000144005 secs
+create_atoms 1 single 28.5 9.5 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 20.5 25.5 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 3 3 4
+Created 1 atoms
+ Time spent = 0.000144005 secs
+create_atoms 1 single 38 33 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 3 20 4
+Created 1 atoms
+ Time spent = 0.000154972 secs
+create_atoms 1 single 35 11 4
+Created 1 atoms
+ Time spent = 0.000145912 secs
+create_atoms 1 single 5 25 4
+Created 1 atoms
+ Time spent = 0.000144005 secs
+create_atoms 1 single 36.5 6.5 4
+Created 1 atoms
+ Time spent = 0.000144005 secs
+create_atoms 1 single 19.5 24.5 4
+Created 1 atoms
+ Time spent = 0.000236988 secs
+create_atoms 1 single 27 41 4
+Created 1 atoms
+ Time spent = 0.000169992 secs
+create_atoms 1 single 39.5 11.5 4
+Created 1 atoms
+ Time spent = 0.000138998 secs
+create_atoms 1 single 21.5 2.5 4
+Created 1 atoms
+ Time spent = 0.000136852 secs
+create_atoms 1 single 46.5 15.5 4
+Created 1 atoms
+ Time spent = 0.000138998 secs
+create_atoms 1 single 13 24 4
+Created 1 atoms
+ Time spent = 0.000137091 secs
+create_atoms 1 single 11 37 4
+Created 1 atoms
+ Time spent = 0.000144005 secs
+create_atoms 1 single 11.5 31.5 4
+Created 1 atoms
+ Time spent = 0.000144958 secs
+create_atoms 1 single 47 0 4
+Created 1 atoms
+ Time spent = 0.000138044 secs
+create_atoms 1 single 25.5 17.5 4
+Created 1 atoms
+ Time spent = 0.00014019 secs
+create_atoms 1 single 32 11 4
+Created 1 atoms
+ Time spent = 0.000138044 secs
+create_atoms 1 single 8 17 4
+Created 1 atoms
+ Time spent = 0.000138044 secs
+create_atoms 1 single 27.5 12.5 4
+Created 1 atoms
+ Time spent = 0.000137806 secs
+create_atoms 1 single 25 7 4
+Created 1 atoms
+ Time spent = 0.000146151 secs
+create_atoms 1 single 25.5 37.5 4
+Created 1 atoms
+ Time spent = 0.000139952 secs
+create_atoms 1 single 12 15 4
+Created 1 atoms
+ Time spent = 0.000138044 secs
+create_atoms 1 single 1 7 4
+Created 1 atoms
+ Time spent = 0.000138998 secs
+create_atoms 1 single 18.5 47.5 4
+Created 1 atoms
+ Time spent = 0.000138044 secs
+create_atoms 1 single 5 38 4
+Created 1 atoms
+ Time spent = 0.000136852 secs
+create_atoms 1 single 42 19 4
+Created 1 atoms
+ Time spent = 0.000149012 secs
+create_atoms 1 single 30.5 7.5 4
+Created 1 atoms
+ Time spent = 0.000138044 secs
+create_atoms 1 single 42.5 7.5 4
+Created 1 atoms
+ Time spent = 0.000138998 secs
+create_atoms 1 single 26.5 18.5 4
+Created 1 atoms
+ Time spent = 0.000153065 secs
+create_atoms 1 single 18.5 1.5 4
+Created 1 atoms
+ Time spent = 0.000137091 secs
+create_atoms 1 single 41.5 10.5 4
+Created 1 atoms
+ Time spent = 0.000140905 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:488)
+
+# 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 4.3687 on 16 procs for 1000 steps with 37048 atoms
+
+Performance: 98.885 ns/day, 0.243 hours/ns, 228.901 timesteps/s
+98.4% 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 | 3.3828 | 3.4667 | 2.3 | 77.43
+Neigh | 0.20856 | 0.23127 | 0.24382 | 1.9 | 5.29
+Comm | 0.33313 | 0.45075 | 0.55485 | 9.2 | 10.32
+Output | 0.00042987 | 0.00044042 | 0.00049591 | 0.0 | 0.01
+Modify | 0.18811 | 0.28363 | 0.36798 | 9.7 | 6.49
+Other | | 0.01983 | | | 0.45
+
+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:488)
+
+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 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
+ 2 neighbor lists, perpetual/occasional/extra = 1 1 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
+Per MPI rank memory allocation (min/avg/max) = 7.566 | 7.567 | 7.567 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]
+ 0 401.24089 -205562.85 0 0 0 1 0 0 0 0 0 0 0 0 4e+19 0 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 0 4e+19 0 0 0 0 0 0 0 1540 0 0 0
+Loop time of 0.540347 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] f_HL[22] f_HL[23]
+ 0 401.24089 -205562.85 23.271302 74 0.18753621 1 6.0138739 703.62325 0 0.55802338 3.5350432 0 0 0 4e+19 10.115141 10.115141 0 0 0 0 0 0 0 0 0
+ 100 399.15639 -205546.21 22.904368 90 0.32935524 0.39929142 6.0138739 703.62325 0.026229865 0.91517139 3.9968927 91.88 0.3995539 0.4009724 0.39695676 10.262823 10.262823 0 0 0 0 0 2000 0 0 0
+Loop time of 0.579085 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] f_HL[22] f_HL[23]
+ 100 399.15639 -205546.21 22.904368 90 0.32935524 0.39929142 6.0138739 703.62325 0.026229865 0.91517139 3.9968927 91.88 0.3995539 0.4009724 0.39695676 10.262823 10.262823 0 0 0 0 0 2000 0 0 0
+ 184 399.15639 -206534.96 22.904368 90 0.32935524 0.39929142 6.0138739 703.62325 0.026229865 0.91517139 3.9968927 49.934783 0.21714886 0.4009724 0.39695676 10.262823 10.262823 0 0 0 0 0 3680 0 0 0
+Loop time of 0.556056 on 16 procs for 84 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] f_HL[22] f_HL[23]
+ 100 399.15639 -205546.21 22.903938 90 0.32935524 0.39929142 6.0138739 703.62325 0.026229865 0.91517139 3.9968927 91.88 0.3995539 0.4009724 0.39695676 10.262823 10.262823 0 0 0 0 0 2000 0 0 0
+ 200 403.01717 -205543.17 20.844359 90 0.3291605 0.39888693 6.0138739 703.62325 0.039527213 0.94418421 4.0368484 90.95 0.39930574 0.4019706 0.39554353 10.262823 10.262823 0 0 0 0 0 4000 0 0 0
+Loop time of 0.581214 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] f_HL[22] f_HL[23]
+ 200 403.01717 -205543.17 20.844359 90 0.3291605 0.39888693 6.0138739 703.62325 0.039527213 0.94418421 4.0368484 90.95 0.39930574 0.4019706 0.39554353 10.262823 10.262823 0 0 0 0 0 4000 0 0 0
+ 275 403.01717 -206534.96 20.844359 90 0.3291605 0.39888693 6.0138739 703.62325 0.039527213 0.94418421 4.0368484 66.145455 0.29040418 0.4019706 0.39554353 10.262823 10.262823 0 0 0 0 0 5500 0 0 0
+Loop time of 0.481812 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] f_HL[22] f_HL[23]
+ 200 403.01717 -205543.17 21.115577 91 0.3291605 0.39888693 6.0138739 703.62325 0.039527213 0.94418421 4.0368484 90.95 0.39930574 0.4019706 0.39554353 10.262823 10.262823 0 0 0 0 0 4000 0 0 0
+ 300 399.01963 -205541.46 19.137336 85 0.32442182 0.39862755 6.0138739 703.62325 0.046873868 0.94776891 4.0368484 92.02 0.39912484 0.40296919 0.39497622 10.288936 10.288936 0 0 0 0 0 6000 0 0 0
+Loop time of 0.5757 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] f_HL[22] f_HL[23]
+ 300 399.01963 -205541.46 19.137336 85 0.32442182 0.39862755 6.0138739 703.62325 0.046873868 0.94776891 4.0368484 92.02 0.39912484 0.40296919 0.39497622 10.288936 10.288936 0 0 0 0 0 6000 0 0 0
+ 377 399.01963 -206534.96 19.137336 85 0.32442182 0.39862755 6.0138739 703.62325 0.046873868 0.94776891 4.0368484 73.225464 0.31760598 0.40296919 0.39497622 10.288936 10.288936 0 0 0 0 0 7540 0 0 0
+Loop time of 0.514907 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] f_HL[22] f_HL[23]
+ 300 399.01963 -205541.46 19.137003 85 0.32442182 0.39862755 6.0138739 703.62325 0.046873868 0.94776891 4.0368484 92.02 0.39912484 0.40296919 0.39497622 10.288936 10.288936 0 0 0 0 0 6000 0 0 0
+ 400 398.15351 -205544.87 20.470844 93 0.34589451 0.39828754 6.0138739 703.62325 0.049952465 0.94776891 4.0779385 92.0375 0.39894967 0.40395328 0.3932824 10.307052 10.307052 0 0 0 0 0 8000 0 0 0
+Loop time of 0.577371 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] f_HL[22] f_HL[23]
+ 400 398.15351 -205544.87 20.470844 93 0.34589451 0.39828754 6.0138739 703.62325 0.049952465 0.94776891 4.0779385 92.0375 0.39894967 0.40395328 0.3932824 10.307052 10.307052 0 0 0 0 0 8000 0 0 0
+ 471 398.15351 -206534.96 20.470844 93 0.34589451 0.39828754 6.0138739 703.62325 0.049952465 0.94776891 4.0779385 78.163482 0.33881076 0.40395328 0.3932824 10.307052 10.307052 0 0 0 0 0 9420 0 0 0
+Loop time of 0.465473 on 16 procs for 71 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] f_HL[22] f_HL[23]
+ 400 398.15351 -205544.87 20.470689 93 0.34589451 0.39828754 6.0138739 703.62325 0.049952465 0.94776891 4.0779385 92.0375 0.39894967 0.40395328 0.3932824 10.307052 10.307052 0 0 0 0 0 8000 0 0 0
+ 500 400.29399 -205544.98 17.051242 83 0.42140172 0.39805251 6.0138739 703.62325 0.056986933 1.0907861 4.0779385 91.986 0.39879563 0.40493836 0.39165573 10.307052 10.307052 0 0 0 0 0 10000 0 0 0
+Loop time of 0.579188 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] f_HL[22] f_HL[23]
+ 500 400.29399 -205544.98 17.051242 83 0.42140172 0.39805251 6.0138739 703.62325 0.056986933 1.0907861 4.0779385 91.986 0.39879563 0.40493836 0.39165573 10.307052 10.307052 0 0 0 0 0 10000 0 0 0
+ 577 400.29399 -206534.96 17.051242 83 0.42140172 0.39805251 6.0138739 703.62325 0.056986933 1.0910651 4.0779385 79.710572 0.3455768 0.40493836 0.39165573 10.307052 10.307052 0 0 0 0 0 11540 0 0 0
+Loop time of 0.502193 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] f_HL[22] f_HL[23]
+ 500 400.29399 -205544.98 17.051107 83 0.42140172 0.39805251 6.0138739 703.62325 0.056986933 1.0910651 4.0779385 91.986 0.39879563 0.40493836 0.39165573 10.307052 10.307052 0 0 0 0 0 10000 0 0 0
+ 600 400.96099 -205544.56 20.904479 91 0.41219484 0.39780769 6.0138739 703.62325 0.061331691 1.1358732 4.0779385 92.013333 0.39864794 0.40593806 0.39067432 10.307052 10.307052 0 0 0 0 0 12000 0 0 0
+Loop time of 0.694955 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] f_HL[22] f_HL[23]
+ 600 400.96099 -205544.56 20.904479 91 0.41219484 0.39780769 6.0138739 703.62325 0.061331691 1.1358732 4.0779385 92.013333 0.39864794 0.40593806 0.39067432 10.307052 10.307052 0 0 0 0 0 12000 0 0 0
+ 680 400.96099 -206534.96 20.904479 91 0.41219484 0.39780769 6.0138739 703.62325 0.061331691 1.1358732 4.0779385 81.188235 0.35174818 0.40593806 0.39067432 10.307052 10.307052 0 0 0 0 0 13600 0 0 0
+Loop time of 0.529041 on 16 procs for 80 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] f_HL[22] f_HL[23]
+ 600 400.96099 -205544.56 20.904088 91 0.41219484 0.39780769 6.0138739 703.62325 0.061331691 1.1358732 4.0779385 92.013333 0.39864794 0.40593806 0.39067432 10.307052 10.307052 0 0 0 0 0 12000 0 0 0
+ 700 397.78618 -205534.96 20.361513 95 0.54466603 0.39757442 6.0138739 703.62325 0.061146951 1.1853748 4.1995704 92.12 0.39850836 0.40693553 0.38981834 10.307052 10.307052 0 0 0 0 0 14000 0 0 0
+Loop time of 0.590093 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] f_HL[22] f_HL[23]
+ 700 397.78618 -205534.96 20.361513 95 0.54466603 0.39757442 6.0138739 703.62325 0.061146951 1.2139704 4.1995704 92.12 0.39850836 0.40693553 0.38981834 10.307052 10.307052 0 0 0 0 0 14000 0 0 0
+ 790 397.78618 -206534.96 20.361513 95 0.54466603 0.39757442 6.0138739 703.62325 0.061146951 2.2107138 4.1995704 81.625316 0.35310868 0.40693553 0.38981834 10.307052 10.307052 0 0 0 0 0 15800 0 0 0
+Loop time of 0.594281 on 16 procs for 90 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] f_HL[22] f_HL[23]
+ 700 397.78618 -205534.96 20.236364 94 0.51088027 0.39757442 6.0138739 703.62325 0.061146951 2.2107138 4.205089 92.12 0.39850836 0.40693553 0.38981834 10.307052 10.307052 0 0 0 0 0 14000 1 2 6
+ 800 399.66919 -205547.44 21.285461 94 0.56079766 0.39739855 6.0138739 703.62325 0.06556778 2.2107138 4.3041291 92.36625 0.3983806 0.40793368 0.38875 10.307052 10.385797 0 0 0 0 0 16000 1 2 6
+Loop time of 0.583824 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] f_HL[22] f_HL[23]
+ 800 399.66919 -205547.44 21.285461 94 0.56079766 0.39739855 6.0138739 703.62325 0.06556778 2.2107138 4.3041291 92.36625 0.3983806 0.40793368 0.38875 10.307052 10.385797 0 0 0 0 0 16000 1 2 6
+ 872 399.66919 -206535.54 21.285461 94 0.56079766 0.39739855 6.0138739 703.62325 0.06556778 2.3177682 4.3041291 84.739679 0.36548679 0.40793368 0.38875 10.307052 10.385797 0 0 0 0 0 17440 1 2 6
+Loop time of 0.46886 on 16 procs for 72 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] f_HL[22] f_HL[23]
+ 800 399.66919 -205547.44 21.2852 94 0.44964213 0.39739855 6.0138739 703.62325 0.06556778 2.3177682 4.3041291 92.36625 0.3983806 0.40793368 0.38875 10.307052 10.385797 0 0 0 0 0 16000 2 4 13
+ 900 401.5853 -205544.22 19.308189 94 0.47610389 0.39719191 6.0138739 703.62325 0.066991886 2.3177682 4.3041291 92.017778 0.39825974 0.40893337 0.3878576 10.307052 10.385797 0 0 0 0 0 18000 2 4 13
+Loop time of 0.585137 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] f_HL[22] f_HL[23]
+ 900 401.5853 -205544.22 19.308189 94 0.47610389 0.39719191 6.0138739 703.62325 0.066991886 2.3177682 4.3041291 92.017778 0.39825974 0.40893337 0.3878576 10.307052 10.385797 0 0 0 0 0 18000 2 4 13
+ 975 401.5853 -206535.54 19.308189 94 0.47610389 0.39719191 6.0138739 703.62325 0.066991886 2.3177682 4.3041291 84.939487 0.36762438 0.40893337 0.3878576 10.307052 10.385797 0 0 0 0 0 19500 2 4 13
+Loop time of 0.502012 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] f_HL[22] f_HL[23]
+ 900 401.5853 -205544.22 19.307938 94 0.47610389 0.39719191 6.0138739 703.62325 0.066991886 2.3177682 4.3041291 92.017778 0.39825974 0.40893337 0.3878576 10.307052 10.385797 0 0 0 0 0 18000 2 4 13
+ 1000 395.06218 -205526.35 17.514295 91 0.42044925 0.39716259 6.0138739 703.62325 0.067937867 2.3177682 4.3041291 92.511 0.39814962 0.40993184 0.3867545 10.307052 10.385797 0 0 0 0 0 20000 2 4 13
+Loop time of 0.588597 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] f_HL[22] f_HL[23]
+ 1000 395.06218 -205526.35 17.514295 91 0.42044925 0.39716259 6.0138739 703.62325 0.067937867 2.3177682 4.3041291 92.511 0.39814962 0.40993184 0.3867545 10.307052 10.385797 0 0 0 0 0 20000 2 4 13
+ 1083 395.06218 -206535.54 17.514295 91 0.42044925 0.39716259 6.0138739 703.62325 0.067937867 2.3177682 4.3041291 85.421053 0.36763584 0.40993184 0.3867545 10.307052 10.385797 0 0 0 0 0 21660 2 4 13
+Loop time of 0.543222 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] f_HL[22] f_HL[23]
+ 1000 395.06218 -205526.35 17.514191 91 0.42044925 0.39716259 6.0138739 703.62325 0.067937867 2.3177682 4.3041291 92.511 0.39814962 0.40993184 0.3867545 10.307052 10.385797 0 0 0 0 0 20000 2 4 13
+ 1100 400.04484 -205545.92 19.52012 89 0.58919981 0.39704631 6.0138739 703.62325 0.069136967 2.3177682 4.4265979 92.517273 0.39805636 0.41093134 0.38574293 10.307052 10.385797 0 0 0 0 0 22000 2 4 13
+Loop time of 0.590075 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] f_HL[22] f_HL[23]
+ 1100 400.04484 -205545.92 19.52012 89 0.58919981 0.39704631 6.0138739 703.62325 0.069136967 2.3177682 4.4265979 92.517273 0.39805636 0.41093134 0.38574293 10.307052 10.385797 0 0 0 0 0 22000 2 4 13
+ 1177 400.04484 -206535.53 19.52012 89 0.58919981 0.39704631 6.0138739 703.62325 0.069136967 2.3177682 4.4265979 86.464741 0.37201529 0.41093134 0.38574293 10.307052 10.385797 0 0 0 0 0 23540 2 4 13
+Loop time of 0.500839 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] f_HL[22] f_HL[23]
+ 1100 400.04484 -205545.92 19.518413 89 0.429675 0.39705701 6.0137119 703.6043 0.069136967 2.3177682 4.4265979 92.517273 0.39805636 0.41093134 0.38574293 10.307052 10.385797 0 0 0 0 0 22000 3 6 19
+ 1200 400.7462 -205543.2 21.169548 91 0.32511134 0.39679665 6.0137119 703.6043 0.06750442 2.3177682 4.4265979 92.376667 0.39796198 0.41191655 0.3846039 10.307052 10.385797 0 0 0 0 0 24000 3 6 19
+Loop time of 0.583971 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] f_HL[22] f_HL[23]
+ 1200 400.7462 -205543.2 21.169548 91 0.32511134 0.39679665 6.0137119 703.6043 0.06750442 2.3177682 4.4265979 92.376667 0.39796198 0.41191655 0.3846039 10.307052 10.385797 0 0 0 0 0 24000 3 6 19
+ 1277 400.7462 -206535.53 21.169548 91 0.32511134 0.39679665 6.0137119 703.6043 0.06750442 2.3177682 4.4265979 86.806578 0.37396584 0.41191655 0.3846039 10.307052 10.385797 0 0 0 0 0 25540 3 6 19
+Loop time of 0.509118 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] f_HL[22] f_HL[23]
+ 1200 400.7462 -205543.2 21.169281 91 0.32511134 0.39679665 6.0137119 703.6043 0.06750442 2.3177682 4.4265979 92.376667 0.39796198 0.41191655 0.3846039 10.307052 10.385797 0 0 0 0 0 24000 3 6 19
+ 1300 398.53702 -205539.33 21.35815 94 0.38773898 0.39659935 6.0137119 703.6043 0.067808168 2.3177682 4.4265979 92.500769 0.39786514 0.41289519 0.3846039 10.307052 10.385797 0 0 0 0 0 26000 3 6 19
+Loop time of 0.587306 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] f_HL[22] f_HL[23]
+ 1300 398.53702 -205539.33 21.35815 94 0.38773898 0.39659935 6.0137119 703.6043 0.067808168 2.3177682 4.4265979 92.500769 0.39786514 0.41289519 0.3846039 10.307052 10.385797 0 0 0 0 0 26000 3 6 19
+ 1375 398.53702 -206535.53 21.35815 94 0.38773898 0.39659935 6.0137119 703.6043 0.067808168 2.3177682 4.4265979 87.455273 0.37616341 0.41289519 0.3846039 10.307052 10.385797 0 0 0 0 0 27500 3 6 19
+Loop time of 0.483781 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] f_HL[22] f_HL[23]
+ 1300 398.53702 -205539.33 21.35787 94 0.38773898 0.39659935 6.0137119 703.6043 0.067808168 2.3177682 4.4265979 92.500769 0.39786514 0.41289519 0.3846039 10.307052 10.385797 0 0 0 0 0 26000 3 6 19
+ 1400 402.80537 -205549.3 19.481887 95 0.32554201 0.39648737 6.0137119 703.6043 0.069550538 2.3177682 4.4265979 92.666429 0.39776836 0.41389491 0.38420043 10.307052 10.385797 0 0 0 0 0 28000 3 6 19
+Loop time of 0.586411 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] f_HL[22] f_HL[23]
+ 1400 402.80537 -205549.3 19.481887 95 0.32554201 0.39648737 6.0137119 703.6043 0.069550538 2.3177682 4.4265979 92.666429 0.39776836 0.41389491 0.38420043 10.307052 10.385797 0 0 0 0 0 28000 3 6 19
+ 1471 402.80537 -206535.53 19.481887 95 0.32554201 0.39648737 6.0137119 703.6043 0.069550538 2.3177682 4.4265979 88.193746 0.37856948 0.41389491 0.38420043 10.307052 10.385797 0 0 0 0 0 29420 3 6 19
+Loop time of 0.473799 on 16 procs for 71 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] f_HL[22] f_HL[23]
+ 1400 402.80537 -205549.3 19.481632 95 0.32554201 0.39648737 6.0137119 703.6043 0.069550538 2.3177682 4.4265979 92.666429 0.39776836 0.41389491 0.38420043 10.307052 10.385797 0 0 0 0 0 28000 3 6 19
+ 1500 402.0803 -205537.7 20.903964 99 0.3340498 0.39635609 6.0137119 703.6043 0.070409086 2.3177682 4.4265979 92.857333 0.39767858 0.41489448 0.38372784 10.333041 10.385797 0 0 0 0 0 30000 3 6 19
+Loop time of 0.587342 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] f_HL[22] f_HL[23]
+ 1500 402.0803 -205537.7 20.903964 99 0.3340498 0.39635609 6.0137119 703.6043 0.070409086 2.3177682 4.4265979 92.857333 0.39767858 0.41489448 0.38372784 10.333041 10.385797 0 0 0 0 0 30000 3 6 19
+ 1574 402.0803 -206535.53 20.903964 99 0.3340498 0.39635609 6.0137119 703.6043 0.070409086 2.3177682 4.4265979 88.491741 0.37898213 0.41489448 0.38372784 10.333041 10.385797 0 0 0 0 0 31480 3 6 19
+Loop time of 0.493982 on 16 procs for 74 steps with 37048 atoms
+
+Final hyper stats ...
+
+Cummulative quantities for fix hyper:
+ hyper time = 30000
+ event timesteps = 3
+ # of atoms in events = 6
+Quantities for this hyper run:
+ event timesteps = 3
+ # of atoms in events = 6
+ max length of any bond = 4.4266
+ max drift distance of any atom = 2.31777
+ fraction of steps & bonds with zero bias = 0.0704091
+Current quantities:
+ ave bonds/atom = 6.01371
+Cummulative quantities specific tofix hyper/local:
+ # of new bonds formed = 19
+ max bonds/atom = 13
+Quantities for this hyper run specific to fix hyper/local:
+ ave boosted bonds/step = 92.8573
+ ave boost coeff of all bonds = 0.397679
+ max boost coeff of any bond = 0.414894
+ min boost coeff of any bond = 0.383728
+ max dist from my box of any non-maxstrain bond ghost atom = 10.333
+ max dist from my box of any bond ghost atom = 10.3858
+ count of ghost bond neighbors not found on reneighbor steps = 0
+ lost bond partners = 0
+ ave bias coeff for lost bond partners = 0
+ bias overlaps = 0
+ non-matching bias coeffs = 0
+ CPU time for bond builds = 0.044807
+Current quantities specific to fix hyper/local:
+ neighbor bonds/bond = 703.604
+ ave boost coeff for all bonds = 0.396356
+
+Loop time of 17.9972 on 16 procs for 1500 steps with 37048 atoms
+
+Performance: 36.006 ns/day, 0.667 hours/ns, 83.346 timesteps/s
+120.7% CPU use with 16 MPI tasks x no OpenMP threads
+
+Hyper stats:
+ Dynamics time (%) = 8.87027 (49.2869)
+ Quench time (%) = 8.15972 (45.3388)
+ Other time (%) = 1.2212 (6.78552)
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 11.6 | 11.848 | 12.043 | 3.9 | 65.83
+Neigh | 0.50025 | 0.52638 | 0.55163 | 2.1 | 2.92
+Comm | 0.34528 | 0.49905 | 0.66742 | 13.3 | 2.77
+Output | 0.0021305 | 0.0021461 | 0.0022686 | 0.1 | 0.01
+Modify | 3.7498 | 3.9009 | 3.9786 | 2.8 | 21.67
+Other | | 1.221 | | | 6.79
+
+Nlocal: 2315.5 ave 2361 max 2267 min
+Histogram: 1 1 0 4 2 1 3 3 0 1
+Nghost: 3187.88 ave 3236 max 3141 min
+Histogram: 1 0 3 2 2 1 4 1 1 1
+Neighs: 53950.6 ave 54989 max 53049 min
+Histogram: 2 0 3 2 1 2 4 1 0 1
+FullNghs: 542951 ave 554654 max 533224 min
+Histogram: 1 2 3 1 2 2 2 2 0 1
+
+Total # of neighbors = 8687214
+Ave neighs/atom = 234.485
+Neighbor list builds = 165
+Dangerous builds = 0
+Total wall time: 0:00:22
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index b60ba7339f1e39d608ec60b340f318deabb3ec04..4a275a23f7a9e75cf9712b018d94ff8ad5c0ea53 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -98,6 +98,7 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
int iarg = 10;
while (iarg < narg) {
+ /*
if (strcmp(arg[iarg],"histo") == 0) {
if (iarg+5 > narg) error->all(FLERR,"Illegal fix hyper/local command");
histoflag = 1;
@@ -109,8 +110,9 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
histo_delta <= 0.0 || histo_print <= 0)
error->all(FLERR,"Illegal fix hyper/local command");
iarg += 5;
+ */
- } else if (strcmp(arg[iarg],"lostbond") == 0) {
+ if (strcmp(arg[iarg],"lostbond") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix hyper/local command");
if (strcmp(arg[iarg+1],"error") == 0) lostbond = ERROR;
else if (strcmp(arg[iarg+1],"warn") == 0) lostbond = WARN;
@@ -272,7 +274,7 @@ void FixHyperLocal::init()
if (cutghost < dcut)
error->all(FLERR,"Fix hyper/local bond cutoff exceeds ghost atom range - "
"use comm_modify cutoff command");
- if (cutghost < dcut+cutbond && me == 0)
+ if (cutghost < dcut+cutbond/2.0 && me == 0)
error->warning(FLERR,"Fix hyper/local ghost atom range "
"may not allow for atom drift between events");
}
@@ -655,6 +657,7 @@ void FixHyperLocal::pre_reverse(int eflag, int vflag)
// DEBUG info for Max and Min bias coeffs every step
+ /*
// if (update->ntimestep >= 300000) {
if (update->ntimestep >= 0) {
@@ -795,6 +798,7 @@ void FixHyperLocal::pre_reverse(int eflag, int vflag)
inbondi,inbondj,incoeff,inbias,instraddle,mbrmax);
}
}
+ */
// end of DEBUG
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 04499432156de25af1055eeb0fd9e88b9dbb51ce..cd8e66447a4cb26311cbc9062b9fde858c94f1f4 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -178,7 +178,6 @@ void Hyper::command(int narg, char **arg)
nbuild = ndanger = 0;
time_dynamics = time_quench = 0.0;
- double clock = 0.0;
if (hyperenable) fix_hyper->init_hyper();
@@ -227,14 +226,10 @@ void Hyper::command(int narg, char **arg)
}
fix_event->restore_state_quench();
-
- // NOTE: replace clock with hypertime
- //clock = clock + t_event*universe->nworlds;
- if (stepmode == 0) istep = update->ntimestep - update->beginstep;
- else istep = clock;
+ istep = update->ntimestep - update->beginstep;
}
- if (stepmode) nsteps = update->ntimestep - update->beginstep;
+ nsteps = update->ntimestep - update->beginstep;
// set total timers and counters so Finish() will process them
@@ -302,6 +297,7 @@ void Hyper::command(int narg, char **arg)
if (screen) {
fprintf(screen,"Cummulative quantities for fix hyper:\n");
fprintf(screen," hyper time = %g\n",t_hyper);
+ fprintf(screen," time boost factor = %g\n",t_hyper/(nsteps*update->dt));
fprintf(screen," event timesteps = %d\n",nevent_running);
fprintf(screen," # of atoms in events = %d\n",nevent_atoms_running);
fprintf(screen,"Quantities for this hyper run:\n");
@@ -504,7 +500,6 @@ void Hyper::options(int narg, char **arg)
ftol = 1.0e-4;
maxiter = 40;
maxeval = 50;
- stepmode = 0;
dumpflag = 0;
ndump = 0;
dumplist = NULL;
@@ -521,13 +516,6 @@ void Hyper::options(int narg, char **arg)
if (maxiter < 0) error->all(FLERR,"Illegal hyper command");
iarg += 5;
- } else if (strcmp(arg[iarg],"time") == 0) {
- if (iarg+2 > narg) error->all(FLERR,"Illegal hyper command");
- if (strcmp(arg[iarg+1],"steps") == 0) stepmode = 0;
- else if (strcmp(arg[iarg+1],"clock") == 0) stepmode = 1;
- else error->all(FLERR,"Illegal hyper command");
- iarg += 2;
-
} else if (strcmp(arg[iarg],"dump") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal hyper command");
dumpflag = 1;