Merge pull request #187 from akohlmey/colvars-update-2016-09-30

update colvars library to version 2016-09-30
Merge pull request #186 from akohlmey/small-bugfixes
2016-09-30 09:21:00 -06:00 · 2016-09-30 09:20:25 -06:00 · 2016-09-30 09:17:55 -06:00 · 2016-09-30 09:38:50 -04:00 · 2016-09-30 09:09:44 -04:00 · 2016-09-30 08:15:44 -04:00
197 changed files with 34312 additions and 3930 deletions
--- a/doc/.gitignore
+++ b/doc/.gitignore
@ -1 +1 @@
-
+/html
--- a/doc/README
+++ b/doc/README
@ -1,10 +1,46 @@
-Generation of LAMMPS Documentation
+LAMMPS Documentation
+
+Depending on how you obtained LAMMPS, this directory has 2 or 3
+sub-directories and optionally 2 PDF files:
+
+src             content files for LAMMPS documentation
+html            HTML version of the LAMMPS manual (see html/Manual.html)
+tools           tools and settings for building the documentation
+Manual.pdf      large PDF version of entire manual
+Developer.pdf   small PDF with info about how LAMMPS is structured
+
+If you downloaded LAMMPS as a tarball from the web site, all these
+directories and files should be included.
+
+If you downloaded LAMMPS from the public SVN or Git repositories, then
+the HTML and PDF files are not included.  Instead you need to create
+them, in one of three ways:
+
+(a) You can "fetch" the current HTML and PDF files from the LAMMPS web
+site.  Just type "make fetch".  This should create a html_www dir and
+Manual_www.pdf/Developer_www.pdf files.  Note that if new LAMMPS
+features have been added more recently than the date of your version,
+the fetched documentation will include those changes (but your source
+code will not, unless you update your local repository).
+
+(b) You can build the HTML and PDF files yourself, by typing "make
+html" followed by "make pdf".  Note that the PDF make requires the
+HTML files already exist.  This requires various tools including
+Sphinx, which the build process will attempt to download and install
+on your system, if not already available.  See more details below.
+
+(c) You can genererate an older, simpler, less-fancy style of HTML
+documentation by typing "make old".  This will create an "old"
+directory.  This can be useful if (b) does not work on your box for
+some reason, or you want to quickly view the HTML version of a doc
+page you have created or edited yourself within the src directory.
+E.g. if you are planning to submit a new feature to LAMMPS.
+
+----------------

 The generation of all documentation is managed by the Makefile in this
 dir.

----------------
-
 Options:

 make html         # generate HTML in html dir using Sphinx
@ -51,3 +87,10 @@ Once Python 3 is installed, open a Terminal and type
 pip3 install virtualenv

 This will install virtualenv from the Python Package Index.
+
+----------------
+
+Installing prerequisites for PDF build
+
+
+
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="22 Sep 2016 version">
+<META NAME="docnumber" CONTENT="29 Sep 2016 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation.  This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@ -21,7 +21,7 @@
 <H1></H1>

 LAMMPS Documentation :c,h3
-22 Sep 2016 version :c,h4
+29 Sep 2016 version :c,h4

 Version info: :h4

--- a/doc/src/PDF/colvars-refman-lammps.pdf
+++ b/doc/src/PDF/colvars-refman-lammps.pdf
--- a/doc/src/Section_commands.txt
+++ b/doc/src/Section_commands.txt
@ -501,6 +501,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
 "bond/create"_fix_bond_create.html,
 "bond/swap"_fix_bond_swap.html,
 "box/relax"_fix_box_relax.html,
+"cmap"_fix_cmap.html,
 "controller"_fix_controller.html,
 "deform (k)"_fix_deform.html,
 "deposit"_fix_deposit.html,
--- a/doc/src/Section_example.txt
+++ b/doc/src/Section_example.txt
@ -105,8 +105,8 @@ web site.

 If you uncomment the "dump image"_dump_image.html line(s) in the input
 script a series of JPG images will be produced by the run (assuming
-you built LAMMPS with JPG support; see "Section start
-2.2"_Section_start.html for details).  These can be viewed
+you built LAMMPS with JPG support; see "Section
+2.2"_Section_start.html#start_2 for details).  These can be viewed
 individually or turned into a movie or animated by tools like
 ImageMagick or QuickTime or various Windows-based tools.  See the
 "dump image"_dump_image.html doc page for more details.  E.g. this
@ -136,5 +136,5 @@ The USER directory has a large number of sub-directories which
 correspond by name to a USER package.  They contain scripts that
 illustrate how to use the command(s) provided in that package.  Many
 of the sub-directories have their own README files which give further
-instructions.  See the "Section packages"_Section_packages.html doc
+instructions.  See the "Section 4"_Section_packages.html doc
 page for more info on specific USER packages.
--- a/doc/src/Section_howto.txt
+++ b/doc/src/Section_howto.txt
@ -2123,7 +2123,7 @@ thermo_style custom step temp press v_pxy v_pxz v_pyz v_v11 v_v22 v_v33
 run          100000
 variable     v equal (v_v11+v_v22+v_v33)/3.0
 variable     ndens equal count(all)/vol
-print        "average viscosity: $v \[Pa.s/] @ $T K, $\{ndens\} /A^3" :pre
+print        "average viscosity: $v \[Pa.s\] @ $T K, $\{ndens\} /A^3" :pre

 The fifth method is related to the above Green-Kubo method,
 but uses the Einstein formulation, analogous to the Einstein
--- a/doc/src/Section_packages.txt
+++ b/doc/src/Section_packages.txt
@ -71,16 +71,16 @@ Package, Description, Author(s), Doc page, Example, Library
 "COMPRESS"_#COMPRESS, I/O compression, Axel Kohlmeyer (Temple U), "dump */gz"_dump.html, -, -
 "CORESHELL"_#CORESHELL, adiabatic core/shell model, Hendrik Heenen (Technical U of Munich), "Section 6.6.25"_Section_howto.html#howto_25, coreshell, -
 "DIPOLE"_#DIPOLE, point dipole particles, -, "pair_style dipole/cut"_pair_dipole.html, dipole, -
-"GPU"_#GPU, GPU-enabled styles, Mike Brown (ORNL), "Section accelerate"_accelerate_gpu.html, gpu, lib/gpu
+"GPU"_#GPU, GPU-enabled styles, Mike Brown (ORNL), "Section 5.3.1"_accelerate_gpu.html, gpu, lib/gpu
 "GRANULAR"_#GRANULAR, granular systems, -, "Section 6.6.6"_Section_howto.html#howto_6, pour, -
 "KIM"_#KIM, openKIM potentials, Smirichinski & Elliot & Tadmor (3), "pair_style kim"_pair_kim.html, kim, KIM
-"KOKKOS"_#KOKKOS, Kokkos-enabled styles, Trott & Moore (4), "Section 5"_accelerate_kokkos.html, kokkos, lib/kokkos
+"KOKKOS"_#KOKKOS, Kokkos-enabled styles, Trott & Moore (4), "Section 5.3.3"_accelerate_kokkos.html, kokkos, lib/kokkos
 "KSPACE"_#KSPACE, long-range Coulombic solvers, -, "kspace_style"_kspace_style.html, peptide, -
 "MANYBODY"_#MANYBODY, many-body potentials, -, "pair_style tersoff"_pair_tersoff.html, shear, -
 "MEAM"_#MEAM, modified EAM potential, Greg Wagner (Sandia), "pair_style meam"_pair_meam.html, meam, lib/meam
 "MC"_#MC, Monte Carlo options, -, "fix gcmc"_fix_gcmc.html, -, -
 "MOLECULE"_#MOLECULE, molecular system force fields, -, "Section 6.6.3"_Section_howto.html#howto_3, peptide, -
-"OPT"_#OPT, optimized pair styles, Fischer & Richie & Natoli (2), "Section accelerate"_accelerate_opt.html, -, -
+"OPT"_#OPT, optimized pair styles, Fischer & Richie & Natoli (2), "Section 5.3.5"_accelerate_opt.html, -, -
 "PERI"_#PERI, Peridynamics models, Mike Parks (Sandia), "pair_style peri"_pair_peri.html, peri, -
 "POEMS"_#POEMS, coupled rigid body motion, Rudra Mukherjee (JPL), "fix poems"_fix_poems.html, rigid, lib/poems
 "PYTHON"_#PYTHON, embed Python code in an input script, -, "python"_python.html, python, lib/python
@ -127,7 +127,6 @@ of the LAMMPS distribution.  See the lib/package/README file for info
 on how to build the library.  If it is not listed as lib/package, then
 it is a third-party library not included in the LAMMPS distribution.
 See details on all of this below for individual packages.
-p.s.: are we ever going to get commit messages from you? ;-)

 :line

@ -150,7 +149,7 @@ make machine :pre

 Make.py -p ^asphere -a machine :pre

-Supporting info: "Section howto 6.14"_Section_howto.html#howto_14,
+Supporting info: "Section 6.14"_Section_howto.html#howto_14,
 "pair_style gayberne"_pair_gayberne.html, "pair_style
 resquared"_pair_resquared.html,
 "doc/PDF/pair_gayberne_extra.pdf"_PDF/pair_gayberne_extra.pdf,
@ -279,9 +278,8 @@ Contents: Compute and pair styles that implement the adiabatic
 core/shell model for polarizability.  The compute temp/cs command
 measures the temperature of a system with core/shell particles.  The
 pair styles augment Born, Buckingham, and Lennard-Jones styles with
-core/shell capabilities.  See "Section howto
-6.26"_Section_howto.html#howto_26 for an overview of how to use the
-package.
+core/shell capabilities.  See "Section 6.26"_Section_howto.html#howto_26
+for an overview of how to use the package.

 To install via make or Make.py:

@ -297,8 +295,8 @@ make machine :pre

 Make.py -p ^coreshell -a machine :pre

-Supporting info: "Section howto
-6.26"_Section_howto.html#howto_26, "compute temp/cs"_compute_temp_cs.html,
+Supporting info: "Section 6.26"_Section_howto.html#howto_26,
+"compute temp/cs"_compute_temp_cs.html,
 "pair_style born/coul/long/cs"_pair_cs.html, "pair_style
 buck/coul/long/cs"_pair_cs.html, pair_style
 lj/cut/coul/long/cs"_pair_lj.html, examples/coreshell
@ -335,7 +333,7 @@ GPU package :link(GPU),h5

 Contents: Dozens of pair styles and a version of the PPPM long-range
 Coulombic solver for NVIDIA GPUs.  All of them have a "gpu" in their
-style name.  "Section accelerate gpu"_accelerate_gpu.html gives
+style name.  "Section 5.3.1"_accelerate_gpu.html gives
 details of what hardware and Cuda software is required on your system,
 and how to build and use this package.  See the KOKKOS package, which
 also has GPU-enabled styles.
@ -380,10 +378,11 @@ make machine :pre

 Make.py -p ^gpu -a machine :pre

-Supporting info: src/GPU/README, lib/gpu/README, "Section
-acclerate"_Section_accelerate.html, "Section accelerate
-gpu"_accelerate_gpu.html, Pair Styles section of "Section commands
-3.5"_Section_commands.html#cmd_5 for any pair style listed with a (g),
+Supporting info: src/GPU/README, lib/gpu/README,
+"Section 5.3"_Section_accelerate.html#acc_3,
+"Section 5.3.1"_accelerate_gpu.html,
+Pair Styles section of "Section 3.5"_Section_commands.html#cmd_5
+for any pair style listed with a (g),
 "kspace_style"_kspace_style.html, "package gpu"_package.html,
 examples/accelerate, bench/FERMI, bench/KEPLER
 
@ -409,7 +408,7 @@ make machine :pre

 Make.py -p ^granular -a machine :pre

-Supporting info: "Section howto 6.6"_Section_howto.html#howto_6, "fix
+Supporting info: "Section 6.6"_Section_howto.html#howto_6, "fix
 pour"_fix_pour.html, "fix wall/gran"_fix_wall_gran.html, "pair_style
 gran/hooke"_pair_gran.html, "pair_style
 gran/hertz/history"_pair_gran.html, examples/pour, bench/in.chute
@ -453,7 +452,7 @@ Contents: Dozens of atom, pair, bond, angle, dihedral, improper styles
 which run with the Kokkos library to provide optimization for
 multicore CPUs (via OpenMP), NVIDIA GPUs, or the Intel Xeon Phi (in
 native mode).  All of them have a "kk" in their style name.  "Section
-accelerate kokkos"_accelerate_kokkos.html gives details of what
+5.3.3"_accelerate_kokkos.html gives details of what
 hardware and software is required on your system, and how to build and
 use this package.  See the GPU, OPT, USER-INTEL, USER-OMP packages,
 which also provide optimizations for the same range of hardware.
@ -473,9 +472,8 @@ the KOKKOS_ARCH setting in Makefile.kokkos_cuda), Or, as illustrated
 below, you can use the Make.py script with its "-kokkos" option to
 choose which hardware to build for.  Type "python src/Make.py -h
 -kokkos" to see the details.  If these methods do not work on your
-system, you will need to read the "Section accelerate
-kokkos"_accelerate_kokkos.html doc page for details of what
-Makefile.machine settings are needed.
+system, you will need to read the "Section 5.3.3"_accelerate_kokkos.html
+doc page for details of what Makefile.machine settings are needed.

 To install via make or Make.py for each of 3 hardware options:

@ -495,11 +493,11 @@ make machine :pre

 Make.py -p ^kokkos -a machine :pre

-Supporting info: src/KOKKOS/README, lib/kokkos/README, "Section
-acclerate"_Section_accelerate.html, "Section accelerate
-kokkos"_accelerate_kokkos.html, Pair Styles section of "Section
-commands 3.5"_Section_commands.html#cmd_5 for any pair style listed
-with a (k), "package kokkos"_package.html,
+Supporting info: src/KOKKOS/README, lib/kokkos/README,
+"Section 5.3"_Section_accelerate.html#acc_3,
+"Section 5.3.3"_accelerate_kokkos.html,
+Pair Styles section of "Section 3.5"_Section_commands.html#cmd_5
+for any pair style listed with a (k), "package kokkos"_package.html,
 examples/accelerate, bench/FERMI, bench/KEPLER

 :line
@ -514,7 +512,7 @@ particle-mesh (PPPM), and multilevel summation method (MSM) solvers.
 Building with the KSPACE package requires a 1d FFT library be present
 on your system for use by the PPPM solvers.  This can be the KISS FFT
 library provided with LAMMPS, or 3rd party libraries like FFTW or a
-vendor-supplied FFT library.  See step 6 of "Section start
+vendor-supplied FFT library.  See step 6 of "Section
 2.2.2"_Section_start.html#start_2_2 of the manual for details of how
 to select different FFT options in your machine Makefile.  The Make.py
 tool has an "-fft" option which can insert these settings into your
@ -536,12 +534,13 @@ make machine :pre
 Make.py -p ^kspace -a machine :pre

 Supporting info: "kspace_style"_kspace_style.html,
-"doc/PDF/kspace.pdf"_PDF/kspace.pdf, "Section howto
-6.7"_Section_howto.html#howto_7, "Section howto
-6.8"_Section_howto.html#howto_8, "Section howto
-6.9"_Section_howto.html#howto_9, "pair_style coul"_pair_coul.html,
-other pair style command doc pages which have "long" or "msm" in their
-style name, examples/peptide, bench/in.rhodo
+"doc/PDF/kspace.pdf"_PDF/kspace.pdf,
+"Section 6.7"_Section_howto.html#howto_7,
+"Section 6.8"_Section_howto.html#howto_8,
+"Section 6.9"_Section_howto.html#howto_9,
+"pair_style coul"_pair_coul.html, other pair style command doc pages
+which have "long" or "msm" in their style name,
+examples/peptide, bench/in.rhodo

 :line
 
@ -568,7 +567,7 @@ Make.py -p ^manybody -a machine :pre

 Supporting info: 
 
-Examples: Pair Styles section of "Section commands
+Examples: Pair Styles section of "Section
 3.5"_Section_commands.html#cmd_5, examples/comb, examples/eim,
 examples/nb3d, examples/vashishta

@ -700,9 +699,9 @@ Supporting info:"atom_style"_atom_style.html,
 "dihedral_style"_dihedral_style.html,
 "improper_style"_improper_style.html, "pair_style
 hbond/dreiding/lj"_pair_hbond_dreiding.html, "pair_style
-lj/charmm/coul/charmm"_pair_charmm.html, "Section howto
-6.3"_Section_howto.html#howto_3, examples/micelle, examples/peptide,
-bench/in.chain, bench/in.rhodo
+lj/charmm/coul/charmm"_pair_charmm.html,
+"Section 6.3"_Section_howto.html#howto_3,
+examples/micelle, examples/peptide, bench/in.chain, bench/in.rhodo

 :line
 
@ -738,7 +737,7 @@ OPT package :link(OPT),h5
 Contents: A handful of pair styles with an "opt" in their style name
 which are optimized for improved CPU performance on single or multiple
 cores.  These include EAM, LJ, CHARMM, and Morse potentials.  "Section
-accelerate opt"_accelerate_opt.html gives details of how to build and
+5.3.5"_accelerate_opt.html gives details of how to build and
 use this package.  See the KOKKOS, USER-INTEL, and USER-OMP packages,
 which also have styles optimized for CPU performance.

@ -763,10 +762,10 @@ make machine :pre

 Make.py -p ^opt -a machine :pre

-Supporting info: "Section acclerate"_Section_accelerate.html, "Section
-accelerate opt"_accelerate_opt.html, Pair Styles section of "Section
-commands 3.5"_Section_commands.html#cmd_5 for any pair style listed
-with an (o), examples/accelerate, bench/KEPLER
+Supporting info: "Section 5.3"_Section_accelerate.html#acc_3,
+"Section 5.3.5"_accelerate_opt.html, Pair Styles section of
+"Section 3.5"_Section_commands.html#cmd_5 for any pair style
+listed with an (t), examples/accelerate, bench/KEPLER

 :line
 
@ -845,14 +844,14 @@ PYTHON package :link(PYTHON),h5

 Contents: A "python"_python.html command which allow you to execute
 Python code from a LAMMPS input script.  The code can be in a separate
-file or embedded in the input script itself.  See "Section python
-11.2"_Section_python.html" for an overview of using Python from
+file or embedded in the input script itself.  See "Section
+11.2"_Section_python.html#py_2 for an overview of using Python from
 LAMMPS and for other ways to use LAMMPS and Python together.

 Building with the PYTHON package assumes you have a Python shared
 library available on your system, which needs to be a Python 2
-version, 2.6 or later.  Python 3 is not supported.  The build uses the
-contents of the lib/python/Makefile.lammps file to find all the Python
+version, 2.6 or later.  Python 3 is not yet supported.  The build uses
+the contents of the lib/python/Makefile.lammps file to find all the Python
 files required in the build/link process.  See the lib/python/README
 file if the settings in that file do not work on your system.  Note
 that the Make.py script has a "-python" option to allow an alternate
@ -950,7 +949,7 @@ REPLICA package :link(REPLICA),h5
 Contents: A collection of multi-replica methods that are used by
 invoking multiple instances (replicas) of LAMMPS
 simulations. Communication between individual replicas is performed in
-different ways by the different methods.  See "Section howto
+different ways by the different methods.  See "Section
 6.5"_Section_howto.html#howto_5 for an overview of how to run
 multi-replica simulations in LAMMPS.  Multi-replica methods included
 in the package are nudged elastic band (NEB), parallel replica
@ -973,7 +972,7 @@ make machine :pre

 Make.py -p ^replica -a machine :pre

-Supporting info: "Section howto 6.5"_Section_howto.html#howto_5,
+Supporting info: "Section 6.5"_Section_howto.html#howto_5,
 "neb"_neb.html, "prd"_prd.html, "tad"_tad.html, "temper"_temper.html,
 "run_style verlet/split"_run_style.html, examples/neb, examples/prd,
 examples/tad
@ -1148,13 +1147,13 @@ Package, Description, Author(s), Doc page, Example, Pic/movie, Library
 "USER-EFF"_#USER-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, -
 "USER-FEP"_#USER-FEP, free energy perturbation, Agilio Padua (U Blaise Pascal Clermont-Ferrand), "compute fep"_compute_fep.html, USER/fep, -, -
 "USER-H5MD"_#USER-H5MD, dump output via HDF5, Pierre de Buyl (KU Leuven), "dump h5md"_dump_h5md.html, -, -, lib/h5md
-"USER-INTEL"_#USER-INTEL, Vectorized CPU and Intel(R) coprocessor styles, W. Michael Brown (Intel), "Section accelerate"_accelerate_intel.html, examples/intel, -, -
+"USER-INTEL"_#USER-INTEL, Vectorized CPU and Intel(R) coprocessor styles, W. Michael Brown (Intel), "Section 5.3.2"_accelerate_intel.html, examples/intel, -, -
 "USER-LB"_#USER-LB, Lattice Boltzmann fluid, Colin Denniston (U Western Ontario), "fix lb/fluid"_fix_lb_fluid.html, USER/lb, -, -
 "USER-MGPT"_#USER-MGPT, fast MGPT multi-ion potentials, Tomas Oppelstrup & John Moriarty (LLNL), "pair_style mgpt"_pair_mgpt.html, USER/mgpt, -, -
 "USER-MISC"_#USER-MISC, single-file contributions, USER-MISC/README, USER-MISC/README, -, -, -
 "USER-MANIFOLD"_#USER-MANIFOLD, motion on 2d surface, Stefan Paquay (Eindhoven U of Technology), "fix manifoldforce"_fix_manifoldforce.html, USER/manifold, "manifold"_manifold, -
 "USER-MOLFILE"_#USER-MOLFILE, "VMD"_VMD molfile plug-ins, Axel Kohlmeyer (Temple U), "dump molfile"_dump_molfile.html, -, -, VMD-MOLFILE
-"USER-OMP"_#USER-OMP, OpenMP threaded styles, Axel Kohlmeyer (Temple U), "Section accelerate"_accelerate_omp.html, -, -, -
+"USER-OMP"_#USER-OMP, OpenMP threaded styles, Axel Kohlmeyer (Temple U), "Section 5.3.4"_accelerate_omp.html, -, -, -
 "USER-PHONON"_#USER-PHONON, phonon dynamical matrix, Ling-Ti Kong (Shanghai Jiao Tong U), "fix phonon"_fix_phonon.html, USER/phonon, -, -
 "USER-QMMM"_#USER-QMMM, QM/MM coupling, Axel Kohlmeyer (Temple U), "fix qmmm"_fix_qmmm.html, USER/qmmm, -, lib/qmmm
 "USER-QTB"_#USER-QTB, quantum nuclear effects, Yuan Shen (Stanford), "fix qtb"_fix_qtb.html "fix qbmsst"_fix_qbmsst.html, qtb, -, -
@ -1353,12 +1352,12 @@ USER-DRUDE package :link(USER-DRUDE),h5

 Contents: This package contains methods for simulating polarizable
 systems using thermalized Drude oscillators.  It has computes, fixes,
-and pair styles for this purpose.  See "Section howto
+and pair styles for this purpose.  See "Section
 6.27"_Section_howto.html#howto_27 for an overview of how to use the
 package.  See src/USER-DRUDE/README for additional details.  There are
 auxiliary tools for using this package in tools/drude.

-Supporting info: "Section howto 6.27"_Section_howto.html#howto_27,
+Supporting info: "Section 6.27"_Section_howto.html#howto_27,
 src/USER-DRUDE/README, "fix drude"_fix_drude.html, "fix
 drude/transform/*"_fix_drude_transform.html, "compute
 temp/drude"_compute_temp_drude.html, "pair thole"_pair_thole.html,
@ -1432,7 +1431,7 @@ USER-INTEL package :link(USER-INTEL),h5
 Contents: Dozens of pair, bond, angle, dihedral, and improper styles
 that are optimized for Intel CPUs and the Intel Xeon Phi (in offload
 mode).  All of them have an "intel" in their style name.  "Section
-accelerate intel"_accelerate_intel.html gives details of what hardware
+5.3.2"_accelerate_intel.html gives details of what hardware
 and compilers are required on your system, and how to build and use
 this package.  Also see src/USER-INTEL/README for more details. See
 the KOKKOS, OPT, and USER-OMP packages, which also have CPU and
@ -1440,7 +1439,7 @@ Phi-enabled styles.

 Supporting info: examples/accelerate, src/USER-INTEL/TEST

-"Section 5"_Section_accelerate.html#acc_3
+"Section 5.3"_Section_accelerate.html#acc_3

 Author: Mike Brown at Intel (michael.w.brown at intel.com).  Contact
 him directly if you have questions.
@ -1532,7 +1531,7 @@ More information about each feature can be found by reading its doc
 page in the LAMMPS doc directory.  The doc page which lists all LAMMPS
 input script commands is as follows:

-"Section 3"_Section_commands.html#cmd_5
+"Section 3.5"_Section_commands.html#cmd_5

 User-contributed features are listed at the bottom of the fix,
 compute, pair, etc sections.
@ -1609,7 +1608,7 @@ styles, and fix styles.
 
 See this section of the manual to get started:

-"Section 5"_Section_accelerate.html#acc_3
+"Section 5.3"_Section_accelerate.html#acc_3

 The person who created this package is Axel Kohlmeyer at Temple U
 (akohlmey at gmail.com).  Contact him directly if you have questions.
--- a/doc/src/Section_perf.txt
+++ b/doc/src/Section_perf.txt
@ -51,7 +51,7 @@ of these 5 problems on 1 or 4 cores of Linux desktop.  The bench/FERMI
 and bench/KEPLER dirs have input files and scripts and instructions
 for running the same (or similar) problems using OpenMP or GPU or Xeon
 Phi acceleration options.  See the README files in those dirs and the
-"Section accelerate"_Section_accelerate.html doc pages for
+"Section 5.3"_Section_accelerate.html#acc_3 doc pages for
 instructions on how to build LAMMPS and run on that kind of hardware.

 The bench/POTENTIALS directory has input files which correspond to the
--- a/doc/src/Section_start.txt
+++ b/doc/src/Section_start.txt
@ -21,7 +21,6 @@ experienced users.
 2.8 "Screen output"_#start_8
 2.9 "Tips for users of previous versions"_#start_9 :all(b)

-:line
 :line

 2.1 What's in the LAMMPS distribution :h4,link(start_1)
@ -70,12 +69,12 @@ launch a LAMMPS Windows executable on a Windows box.

 This section has the following sub-sections:

-"Read this first"_#start_2_1
-"Steps to build a LAMMPS executable"_#start_2_2
-"Common errors that can occur when making LAMMPS"_#start_2_3
-"Additional build tips"_#start_2_4
-"Building for a Mac"_#start_2_5
-"Building for Windows"_#start_2_6 :ul
+2.2.1 "Read this first"_#start_2_1
+2.2.1 "Steps to build a LAMMPS executable"_#start_2_2
+2.2.3 "Common errors that can occur when making LAMMPS"_#start_2_3
+2.2.4 "Additional build tips"_#start_2_4
+2.2.5 "Building for a Mac"_#start_2_5
+2.2.6 "Building for Windows"_#start_2_6 :all(b)

 :line

@ -559,8 +558,7 @@ Typing "make clean-all" or "make clean-machine" will delete *.o object
 files created when LAMMPS is built, for either all builds or for a
 particular machine.

- Changing the LAMMPS size limits via -DLAMMPS_SMALLBIG or
-DLAMMPS_BIGBIG or -DLAMMPS_SMALLSMALL :h6
+Changing the LAMMPS size limits via -DLAMMPS_SMALLBIG or -DLAMMPS_BIGBIG or -DLAMMPS_SMALLSMALL :h6

 As explained above, any of these 3 settings can be specified on the
 LMP_INC line in your low-level src/MAKE/Makefile.foo.
@ -612,7 +610,7 @@ neighbor lists and would run very slowly in terms of CPU secs/timestep.

 Building for a Mac :h5,link(start_2_5)

-OS X is BSD Unix, so it should just work.  See the
+OS X is a derivative of BSD Unix, so it should just work.  See the
 src/MAKE/MACHINES/Makefile.mac and Makefile.mac_mpi files.

 :line
@ -637,9 +635,9 @@ happy to distribute contributed instructions and modifications, but
 we cannot provide support for those.

 With the so-called "Anniversary Update" to Windows 10, there is a
-Ubuntu subsystem available for Windows, that can be installed and
-then it can be used to compile/install LAMMPS as if you are running
-on a Ubuntu Linux system.
+Ubuntu Linux subsystem available for Windows, that can be installed
+and then used to compile/install LAMMPS as if you are running on a
+Ubuntu Linux system instead of Windows.

 As an alternative, you can download "daily builds" (and some older
 versions) of the installer packages from
@ -654,10 +652,10 @@ many examples, but no source code.

 This section has the following sub-sections:

-"Package basics"_#start_3_1
-"Including/excluding packages"_#start_3_2
-"Packages that require extra libraries"_#start_3_3
-"Packages that require Makefile.machine settings"_#start_3_4 :ul
+2.3.1 "Package basics"_#start_3_1
+2.3.2 "Including/excluding packages"_#start_3_2
+2.3.3 "Packages that require extra libraries"_#start_3_3
+2.3.4 "Packages that require Makefile.machine settings"_#start_3_4 :all(b)

 Note that the following "Section 2.4"_#start_4 describes the Make.py
 tool which can be used to install/un-install packages and build the
@ -673,7 +671,7 @@ are always included, plus optional packages.  Packages are groups of
 files that enable a specific set of features.  For example, force
 fields for molecular systems or granular systems are in packages.

-"Section packages"_Section_packages.html in the manual has details
+"Section 4"_Section_packages.html in the manual has details
 about all the packages, including specific instructions for building
 LAMMPS with each package, which are covered in a more general manner
 below.
@ -727,15 +725,15 @@ before building LAMMPS.  From the src directory, this is typically as
 simple as:

 make yes-colloid
-make g++ :pre
+make mpi :pre

 or

 make no-manybody
-make g++ :pre
+make mpi :pre

 NOTE: You should NOT include/exclude packages and build LAMMPS in a
-single make command using multiple targets, e.g. make yes-colloid g++.
+single make command using multiple targets, e.g. make yes-colloid mpi.
 This is because the make procedure creates a list of source files that
 will be out-of-date for the build if the package configuration changes
 within the same command.
@ -826,7 +824,7 @@ where to find them.
 For libraries with provided code, the sub-directory README file
 (e.g. lib/atc/README) has instructions on how to build that library.
 This information is also summarized in "Section
-packages"_Section_packages.html.  Typically this is done by typing
+4"_Section_packages.html.  Typically this is done by typing
 something like:

 make -f Makefile.g++ :pre
@ -885,17 +883,17 @@ A few packages require specific settings in Makefile.machine, to
 either build or use the package effectively.  These are the
 USER-INTEL, KOKKOS, USER-OMP, and OPT packages, used for accelerating
 code performance on CPUs or other hardware, as discussed in "Section
-acclerate"_Section_accelerate.html. 
+5.3"_Section_accelerate.html#acc_3. 

 A summary of what Makefile.machine changes are needed for each of
-these packages is given in "Section packages"_Section_packages.html.
+these packages is given in "Section 4"_Section_packages.html.
 The details are given on the doc pages that describe each of these
 accelerator packages in detail:

-"USER-INTEL package"_accelerate_intel.html
-"KOKKOS package"_accelerate_kokkos.html
-"USER-OMP package"_accelerate_omp.html
-"OPT package"_accelerate_opt.html :ul
+5.3.1 "USER-INTEL package"_accelerate_intel.html
+5.3.3 "KOKKOS package"_accelerate_kokkos.html
+5.3.4 "USER-OMP package"_accelerate_omp.html
+5.3.5 "OPT package"_accelerate_opt.html :all(b)

 You can also look at the following machine Makefiles in
 src/MAKE/OPTIONS, which include the changes.  Note that the USER-INTEL
@ -1367,7 +1365,7 @@ Note that the keywords do not use a leading minus sign.  I.e. the
 keyword is "t", not "-t".  Also note that each of the keywords has a
 default setting.  Example of when to use these options and what
 settings to use on different platforms is given in "Section
-5.8"_Section_accelerate.html#acc_3.
+5.3"_Section_accelerate.html#acc_3.

 d or device
 g or gpus
--- a/doc/src/Section_tools.txt
+++ b/doc/src/Section_tools.txt
@ -107,9 +107,10 @@ The ch2lmp sub-directory contains tools for converting files
 back-and-forth between the CHARMM MD code and LAMMPS. 

 They are intended to make it easy to use CHARMM as a builder and as a
-post-processor for LAMMPS. Using charmm2lammps.pl, you can convert an
-ensemble built in CHARMM into its LAMMPS equivalent.  Using
-lammps2pdb.pl you can convert LAMMPS atom dumps into pdb files.
+post-processor for LAMMPS. Using charmm2lammps.pl, you can convert a
+PDB file with associated CHARMM info, including CHARMM force field
+data, into its LAMMPS equivalent.  Using lammps2pdb.pl you can convert
+LAMMPS atom dumps into PDB files.

 See the README file in the ch2lmp sub-directory for more information.

--- a/doc/src/accelerate_kokkos.txt
+++ b/doc/src/accelerate_kokkos.txt
@ -156,19 +156,25 @@ CPU-only (run all-MPI or with OpenMP threading):

 cd lammps/src
 make yes-kokkos
-make g++ KOKKOS_DEVICES=OpenMP :pre
+make kokkos_omp :pre

-Intel Xeon Phi:
+CPU-only (only MPI, no threading):

 cd lammps/src
 make yes-kokkos
-make g++ KOKKOS_DEVICES=OpenMP KOKKOS_ARCH=KNC :pre
+make kokkos_mpi :pre

-CPUs and GPUs:
+Intel Xeon Phi (Intel Compiler, Intel MPI):

 cd lammps/src
 make yes-kokkos
-make cuda KOKKOS_DEVICES=Cuda :pre
+make kokkos_phi :pre
+
+CPUs and GPUs (with MPICH):
+
+cd lammps/src
+make yes-kokkos
+make kokkos_cuda_mpich :pre

 These examples set the KOKKOS-specific OMP, MIC, CUDA variables on the
 make command line which requires a GNU-compatible make command.  Try
@ -180,26 +186,6 @@ first two examples above, then you *must* perform a "make clean-all"
 or "make clean-machine" before each build.  This is to force all the
 KOKKOS-dependent files to be re-compiled with the new options.

-You can also hardwire these make variables in the specified machine
-makefile, e.g. src/MAKE/Makefile.g++ in the first two examples above,
-with a line like:
-
-KOKKOS_ARCH = KNC :pre
-
-Note that if you build LAMMPS multiple times in this manner, using
-different KOKKOS options (defined in different machine makefiles), you
-do not have to worry about doing a "clean" in between.  This is
-because the targets will be different.
-
-NOTE: The 3rd example above for a GPU, uses a different machine
-makefile, in this case src/MAKE/Makefile.cuda, which is included in
-the LAMMPS distribution.  To build the KOKKOS package for a GPU, this
-makefile must use the NVIDA "nvcc" compiler.  And it must have a
-KOKKOS_ARCH setting that is appropriate for your NVIDIA hardware and
-installed software.  Typical values for KOKKOS_ARCH are given below,
-as well as other settings that must be included in the machine
-makefile, if you create your own.
-
 NOTE: Currently, there are no precision options with the KOKKOS
 package.  All compilation and computation is performed in double
 precision.
@ -246,7 +232,7 @@ used if running with KOKKOS_DEVICES=Pthreads for pthreads.  It is not
 necessary for KOKKOS_DEVICES=OpenMP for OpenMP, because OpenMP
 provides alternative methods via environment variables for binding
 threads to hardware cores.  More info on binding threads to cores is
-given in "this section"_Section_accelerate.html#acc_3.
+given in "Section 5.3"_Section_accelerate.html#acc_3.

 KOKKOS_ARCH=KNC enables compiler switches needed when compling for an
 Intel Phi processor.
--- a/doc/src/accelerate_omp.txt
+++ b/doc/src/accelerate_omp.txt
@ -7,7 +7,7 @@

 :line

-"Return to Section accelerate overview"_Section_accelerate.html
+"Return to Section 5 overview"_Section_accelerate.html

 5.3.4 USER-OMP package :h5

@ -103,8 +103,8 @@ USER-OMP style (in serial or parallel) with a single thread per MPI
 task, versus running standard LAMMPS with its standard un-accelerated
 styles (in serial or all-MPI parallelization with 1 task/core).  This
 is because many of the USER-OMP styles contain similar optimizations
-to those used in the OPT package, described in "Section accelerate
-5.3.6"_accelerate_opt.html.
+to those used in the OPT package, described in "Section
+5.3.5"_accelerate_opt.html.

 With multiple threads/task, the optimal choice of number of MPI
 tasks/node and OpenMP threads/task can vary a lot and should always be
--- a/doc/src/balance.txt
+++ b/doc/src/balance.txt
@ -10,7 +10,7 @@ balance command :h3

 [Syntax:]

-balance thresh style args ... keyword value ... :pre
+balance thresh style args ... keyword args ... :pre

 thresh = imbalance threshhold that must be exceeded to perform a re-balance :ulb,l
 one style/arg pair can be used (or multiple for {x},{y},{z}) :l
@ -32,9 +32,23 @@ style = {x} or {y} or {z} or {shift} or {rcb} :l
    Niter = # of times to iterate within each dimension of dimstr sequence
    stopthresh = stop balancing when this imbalance threshhold is reached
  {rcb} args = none :pre
-zero or more keyword/value pairs may be appended :l
-keyword = {out} :l
-  {out} value = filename
+zero or more keyword/arg pairs may be appended :l
+keyword = {weight} or {out} :l
+  {weight} style args = use weighted particle counts for the balancing
+    {style} = {group} or {neigh} or {time} or {var} or {store}
+      {group} args = Ngroup group1 weight1 group2 weight2 ...
+        Ngroup = number of groups with assigned weights
+        group1, group2, ... = group IDs
+        weight1, weight2, ...   = corresponding weight factors
+      {neigh} factor = compute weight based on number of neighbors
+        factor = scaling factor (> 0)
+      {time} factor = compute weight based on time spend computing
+        factor = scaling factor (> 0)
+      {var} name = take weight from atom-style variable
+        name = name of the atom-style variable
+      {store} name = store weight in custom atom property defined by "fix property/atom"_fix_property_atom.html command
+        name = atom property name (without d_ prefix)
+  {out} arg = filename
    filename = write each processor's sub-domain to a file :pre
 :ule

@ -44,28 +58,42 @@ balance 0.9 x uniform y 0.4 0.5 0.6
 balance 1.2 shift xz 5 1.1
 balance 1.0 shift xz 5 1.1
 balance 1.1 rcb
+balance 1.0 shift x 10 1.1 weight group 2 fast 0.5 slow 2.0
+balance 1.0 shift x 10 1.1 weight time 0.8 weight neigh 0.5 weight store balance
 balance 1.0 shift x 20 1.0 out tmp.balance :pre

 [Description:]

 This command adjusts the size and shape of processor sub-domains
-within the simulation box, to attempt to balance the number of
-particles and thus the computational cost (load) evenly across
-processors.  The load balancing is "static" in the sense that this
-command performs the balancing once, before or between simulations.
-The processor sub-domains will then remain static during the
-subsequent run.  To perform "dynamic" balancing, see the "fix
+within the simulation box, to attempt to balance the number of atoms
+or particles and thus indirectly the computational cost (load) more
+evenly across processors.  The load balancing is "static" in the sense
+that this command performs the balancing once, before or between
+simulations.  The processor sub-domains will then remain static during
+the subsequent run.  To perform "dynamic" balancing, see the "fix
 balance"_fix_balance.html command, which can adjust processor
 sub-domain sizes and shapes on-the-fly during a "run"_run.html.

-Load-balancing is typically only useful if the particles in the
-simulation box have a spatially-varying density distribution.  E.g. a
-model of a vapor/liquid interface, or a solid with an irregular-shaped
-geometry containing void regions.  In this case, the LAMMPS default of
+Load-balancing is typically most useful if the particles in the
+simulation box have a spatially-varying density distribution or when
+the computational cost varies signficantly between different
+particles.  E.g. a model of a vapor/liquid interface, or a solid with
+an irregular-shaped geometry containing void regions, or "hybrid pair
+style simulations"_pair_hybrid.html which combine pair styles with
+different computational cost.  In these cases, the LAMMPS default of
 dividing the simulation box volume into a regular-spaced grid of 3d
-bricks, with one equal-volume sub-domain per procesor, may assign very
-different numbers of particles per processor.  This can lead to poor
-performance when the simulation is run in parallel.
+bricks, with one equal-volume sub-domain per procesor, may assign
+numbers of particles per processor in a way that the computational
+effort varies significantly.  This can lead to poor performance when
+the simulation is run in parallel.
+
+The balancing can be performed with or without per-particle weighting.
+With no weighting, the balancing attempts to assign an equal number of
+particles to each processor.  With weighting, the balancing attempts
+to assign an equal aggregate computational weight to each processor,
+which typically inducces a diffrent number of atoms assigned to each
+processor.  Details on the various weighting options and examples for
+how they can be used are "given below"_#weighted_balance.

 Note that the "processors"_processors.html command allows some control
 over how the box volume is split across processors.  Specifically, for
@ -78,9 +106,9 @@ sub-domains will still have the same shape and same volume.
 The requested load-balancing operation is only performed if the
 current "imbalance factor" in particles owned by each processor
 exceeds the specified {thresh} parameter.  The imbalance factor is
-defined as the maximum number of particles owned by any processor,
-divided by the average number of particles per processor.  Thus an
-imbalance factor of 1.0 is perfect balance.
+defined as the maximum number of particles (or weight) owned by any
+processor, divided by the average number of particles (or weight) per
+processor.  Thus an imbalance factor of 1.0 is perfect balance.

 As an example, for 10000 particles running on 10 processors, if the
 most heavily loaded processor has 1200 particles, then the factor is
@ -108,7 +136,7 @@ defined above.  But depending on the method a perfect balance (1.0)
 may not be achieved.  For example, "grid" methods (defined below) that
 create a logical 3d grid cannot achieve perfect balance for many
 irregular distributions of particles.  Likewise, if a portion of the
-system is a perfect lattice, e.g. the intiial system is generated by
+system is a perfect lattice, e.g. the initial system is generated by
 the "create_atoms"_create_atoms.html command, then "grid" methods may
 be unable to achieve exact balance.  This is because entire lattice
 planes will be owned or not owned by a single processor.
@ -134,11 +162,11 @@ The {x}, {y}, {z}, and {shift} styles are "grid" methods which produce
 a logical 3d grid of processors.  They operate by changing the cutting
 planes (or lines) between processors in 3d (or 2d), to adjust the
 volume (area in 2d) assigned to each processor, as in the following 2d
-diagram where processor sub-domains are shown and atoms are colored by
-the processor that owns them.  The leftmost diagram is the default
-partitioning of the simulation box across processors (one sub-box for
-each of 16 processors); the middle diagram is after a "grid" method
-has been applied.
+diagram where processor sub-domains are shown and particles are
+colored by the processor that owns them.  The leftmost diagram is the
+default partitioning of the simulation box across processors (one
+sub-box for each of 16 processors); the middle diagram is after a
+"grid" method has been applied.

 :image(JPG/balance_uniform_small.jpg,JPG/balance_uniform.jpg),image(JPG/balance_nonuniform_small.jpg,JPG/balance_nonuniform.jpg),image(JPG/balance_rcb_small.jpg,JPG/balance_rcb.jpg)
 :c
@ -146,8 +174,8 @@ has been applied.
 The {rcb} style is a "tiling" method which does not produce a logical
 3d grid of processors.  Rather it tiles the simulation domain with
 rectangular sub-boxes of varying size and shape in an irregular
-fashion so as to have equal numbers of particles in each sub-box, as
-in the rightmost diagram above.
+fashion so as to have equal numbers of particles (or weight) in each
+sub-box, as in the rightmost diagram above.

 The "grid" methods can be used with either of the
 "comm_style"_comm_style.html command options, {brick} or {tiled}.  The
@ -230,7 +258,7 @@ counts do not match the target value for the plane, the position of
 the cut is adjusted to be halfway between a low and high bound.  The
 low and high bounds are adjusted on each iteration, using new count
 information, so that they become closer together over time.  Thus as
-the recustion progresses, the count of particles on either side of the
+the recursion progresses, the count of particles on either side of the
 plane gets closer to the target value.

 Once the rebalancing is complete and final processor sub-domains
@ -262,21 +290,129 @@ the longest dimension, leaving one new box on either side of the cut.
 All the processors are also partitioned into 2 groups, half assigned
 to the box on the lower side of the cut, and half to the box on the
 upper side.  (If the processor count is odd, one side gets an extra
-processor.)  The cut is positioned so that the number of atoms in the
-lower box is exactly the number that the processors assigned to that
-box should own for load balance to be perfect.  This also makes load
-balance for the upper box perfect.  The positioning is done
-iteratively, by a bisectioning method.  Note that counting atoms on
-either side of the cut requires communication between all processors
-at each iteration.
+processor.)  The cut is positioned so that the number of particles in
+the lower box is exactly the number that the processors assigned to
+that box should own for load balance to be perfect.  This also makes
+load balance for the upper box perfect.  The positioning is done
+iteratively, by a bisectioning method.  Note that counting particles
+on either side of the cut requires communication between all
+processors at each iteration.

 That is the procedure for the first cut.  Subsequent cuts are made
 recursively, in exactly the same manner.  The subset of processors
 assigned to each box make a new cut in the longest dimension of that
-box, splitting the box, the subset of processsors, and the atoms in
-the box in two.  The recursion continues until every processor is
-assigned a sub-box of the entire simulation domain, and owns the atoms
-in that sub-box.
+box, splitting the box, the subset of processsors, and the particles
+in the box in two.  The recursion continues until every processor is
+assigned a sub-box of the entire simulation domain, and owns the
+particles in that sub-box.
+
+:line
+
+This sub-section describes how to perform weighted load balancing
+using the {weight} keyword. :link(weighted_balance)
+
+By default, all particles have a weight of 1.0, which means each
+particle is assumed to require the same amount of computation during a
+timestep.  There are, however, scenarios where this is not a good
+assumption.  Measuring the computational cost for each particle
+accurately would be impractical and slow down the computation.
+Instead the {weight} keyword implements several ways to influence the
+per-particle weights empirically by properties readily available or
+using the user's knowledge of the system.  Note that the absolute
+value of the weights are not important; their ratio is what is used to
+assign particles to processors.  A particle with a weight of 2.5 is
+assumed to require 5x more computational than a particle with a weight
+of 0.5.
+
+Below is a list of possible weight options with a short description of
+their usage and some example scenarios where they might be applicable.
+It is possible to apply multiple weight flags and the weightins they
+induce will be combined through multiplication.  Most of the time,
+however, it is sufficient to use just one method.
+
+The {group} weight style assigns weight factors to specified
+"groups"_group.html of particles.  The {group} style keyword is
+followed by the number of groups, then pairs of group IDs and the
+corresponding weight factor.  If a particle belongs to none of the
+specified groups, its weight is not changed.  If it belongs to
+multiple groups, its weight is the product of the weight factors.
+
+This weight style is useful in combination with pair style
+"hybrid"_pair_hybrid.html, e.g. when combining a more costly manybody
+potential with a fast pair-wise potential.  It is also useful when
+using "run_style respa"_run_style.html where some portions of the
+system have many bonded interactions and others none.  It assumes that
+the computational cost for each group remains constant over time.
+This is a purely empirical weighting, so a series test runs to tune
+the assigned weight factors for optimal performance is recommended.
+
+The {neigh} weight style assigns a weight to each particle equal to
+its number of neighbors divided by the avergage number of neighbors
+for all particles.  The {factor} setting is then appied as an overall
+scale factor to all the {neigh} weights which allows tuning of the
+impact of this style.  A {factor} smaller than 1.0 (e.g. 0.8) often
+results in the best performance, since the number of neighbors is
+likely to overestimate the ideal weight.
+
+This weight style is useful for systems where there are different
+cutoffs used for different pairs of interations, or the density
+fluctuates, or a large number of particles are in the vicinity of a
+wall, or a combination of these effects.  If a simulation uses
+multiple neighbor lists, this weight style will use the first suitable
+neighbor list it finds.  It will not request or compute a new list.  A
+warning will be issued if there is no suitable neighbor list available
+or if it is not current, e.g. if the balance command is used before a
+"run"_run.html or "minimize"_minimize.html command is used, in which
+case the neighbor list may not yet have been built.  In this case no
+weights are computed.  Inserting a "run 0 post no"_run.html command
+before issuing the {balance} command, may be a workaround for this
+case, as it will induce the neighbor list to be built.
+
+The {time} weight style uses "timer data"_timer.html to estimate a
+weight for each particle.  It uses the same information as is used for
+the "MPI task timing breakdown"_Section_start.html#start_8, namely,
+the timings for sections {Pair}, {Bond}, {Kspace}, and {Neigh}.  The
+time spent in these sections of the timestep are measured for each MPI
+rank, summed up, then converted into a cost for each MPI rank relative
+to the average cost over all MPI ranks for the same sections.  That
+cost then evenly distributed over all the particles owned by that
+rank.  Finally, the {factor} setting is then appied as an overall
+scale factor to all the {time} weights as a way to fine tune the
+impact of this weight style.  Good {factor} values to use are
+typically between 0.5 and 1.2.
+
+For the {balance} command the timing data is taken from the preceding
+run command, i.e. the timings are for the entire previous run.  For
+the {fix balance} command the timing data is for only the timesteps
+since the last balancing operation was performed.  If timing
+information for the required sections is not available, e.g. at the
+beginning of a run, or when the "timer"_timer.html command is set to
+either {loop} or {off}, a warning is issued.  In this case no weights
+are computed.
+
+This weight style is the most generic one, and should be tried first,
+if neither the {group} or {neigh} styles are easily applicable.
+However, since the computed cost function is averaged over all local
+particles this weight style may not be highly accurate.  This style
+can also be effective as a secondary weight in combination with either
+{group} or {neigh} to offset some of inaccuracies in either of those
+heuristics.
+
+The {var} weight style assigns per-particle weights by evaluating an
+"atom-style variable"_variable.html specified by {name}.  This is
+provided as a more flexible alternative to the {group} weight style,
+allowing definition of a more complex heuristics based on information
+(global and per atom) available inside of LAMMPS.  For example,
+atom-style variables can reference the position of a particle, its
+velocity, the volume of its Voronoi cell, etc.
+
+The {store} weight style does not compute a weight factor.  Instead it
+stores the current accumulated weights in a custom per-atom property
+specified by {name}.  This must be a property defined as {d_name} via
+the "fix property/atom"_fix_property_atom.html command.  Note that
+these custom per-atom properties can be output in a "dump"_dump.html
+file, so this is a way to examine, debug, or visualize the
+per-particle weights computed during the load-balancing operation.

 :line

@ -342,6 +478,7 @@ appear in {dimstr} for the {shift} style.

 [Related commands:]

-"processors"_processors.html, "fix balance"_fix_balance.html
+"group"_group.html, "processors"_processors.html,
+"fix balance"_fix_balance.html

 [Default:] none
--- a/doc/src/compute_tally.txt
+++ b/doc/src/compute_tally.txt
@ -35,7 +35,12 @@ group/group"_compute_group_group.html only that the data is
 accumulated directly during the non-bonded force computation. The
 computes {force/tally}, {pe/tally}, {stress/tally}, and
 {heat/flux/tally} are primarily provided as example how to program
-additional, more sophisticated computes using the tally mechanism.
+additional, more sophisticated computes using the tally callback
+mechanism. Compute {pe/mol/tally} is one such style, that can
+- through using this mechanism - separately tally intermolecular
+and intramolecular energies. Something that would otherwise be
+impossible without integrating this as a core functionality into
+the based classes of LAMMPS.

 :line

@ -56,7 +61,7 @@ atom scalar (the contributions of the single atom to the global
 scalar). Compute {pe/mol/tally} calculates a global 4-element vector
 containing (in this order): {evdwl} and {ecoul} for intramolecular pairs
 and {evdwl} and {ecoul} for intermolecular pairs. Since molecules are
-identified my their molecule IDs, the partitioning does not have to be
+identified by their molecule IDs, the partitioning does not have to be
 related to molecules, but the energies are tallied into the respective
 slots depending on whether the molecule IDs of a pair are the same or
 different. Compute {force/tally} calculates a global scalar (the force
--- a/doc/src/dump.txt
+++ b/doc/src/dump.txt
@ -328,8 +328,8 @@ bonds and colors.

 Note that {atom}, {custom}, {dcd}, {xtc}, and {xyz} style dump files
 can be read directly by "VMD"_http://www.ks.uiuc.edu/Research/vmd, a
-popular molecular viewing program.  See "Section
-tools"_Section_tools.html#vmd of the manual and the
+popular molecular viewing program.  See
+"Section 9"_Section_tools.html#vmd of the manual and the
 tools/lmp2vmd/README.txt file for more information about support in
 VMD for reading and visualizing LAMMPS dump files.

@ -390,7 +390,7 @@ Using MPI-IO requires two steps.  First, build LAMMPS with its MPIIO
 package installed, e.g.

 make yes-mpiio    # installs the MPIIO package
-make g++          # build LAMMPS for your platform :pre
+make mpi          # build LAMMPS for your platform :pre

 Second, use a dump filename which contains ".mpiio".  Note that it
 does not have to end in ".mpiio", just contain those characters.
@ -531,7 +531,7 @@ so that each value is 0.0 to 1.0.  If the simulation box is triclinic
 (tilted), then all atom coords will still be between 0.0 and 1.0.
 I.e. actual unscaled (x,y,z) = xs*A + ys*B + zs*C, where (A,B,C) are
 the non-orthogonal vectors of the simulation box edges, as discussed
-in "Section howto 6.12"_Section_howto.html#howto_12.
+in "Section 6.12"_Section_howto.html#howto_12.

 Use {xu}, {yu}, {zu} if you want the coordinates "unwrapped" by the
 image flags for each atom.  Unwrapped means that if the atom has
--- a/doc/src/dump_molfile.txt
+++ b/doc/src/dump_molfile.txt
@ -34,7 +34,7 @@ to one or more files every N timesteps in one of several formats.
 Only information for atoms in the specified group is dumped.  This
 specific dump style uses molfile plugins that are bundled with the
 "VMD"_http://www.ks.uiuc.edu/Research/vmd molecular visualization and
-analysis program.  See "Section tools"_Section_tools.html#vmd of the
+analysis program.  See "Section 9"_Section_tools.html#vmd of the
 manual and the tools/lmp2vmd/README.txt file for more information
 about support in VMD for reading and visualizing native LAMMPS dump
 files.
--- a/doc/src/fix_balance.txt
+++ b/doc/src/fix_balance.txt
@ -10,7 +10,7 @@ fix balance command :h3

 [Syntax:]

-fix ID group-ID balance Nfreq thresh style args keyword value ... :pre
+fix ID group-ID balance Nfreq thresh style args keyword args ... :pre

 ID, group-ID are documented in "fix"_fix.html command :ulb,l
 balance = style name of this fix command :l
@ -21,10 +21,24 @@ style = {shift} or {rcb} :l
    dimstr = sequence of letters containing "x" or "y" or "z", each not more than once
    Niter = # of times to iterate within each dimension of dimstr sequence
    stopthresh = stop balancing when this imbalance threshhold is reached
-  rcb args = none :pre
-zero or more keyword/value pairs may be appended :l
-keyword = {out} :l
-  {out} value = filename
+  {rcb} args = none :pre
+zero or more keyword/arg pairs may be appended :l
+keyword = {weight} or {out} :l
+  {weight} style args = use weighted particle counts for the balancing
+    {style} = {group} or {neigh} or {time} or {var} or {store}
+      {group} args = Ngroup group1 weight1 group2 weight2 ...
+        Ngroup = number of groups with assigned weights
+        group1, group2, ... = group IDs
+        weight1, weight2, ...   = corresponding weight factors
+      {neigh} factor = compute weight based on number of neighbors
+        factor = scaling factor (> 0)
+      {time} factor = compute weight based on time spend computing
+        factor = scaling factor (> 0)
+      {var} name = take weight from atom-style variable
+        name = name of the atom-style variable
+      {store} name = store weight in custom atom property defined by "fix property/atom"_fix_property_atom.html command
+        name = atom property name (without d_ prefix)
+  {out} arg = filename
    filename = write each processor's sub-domain to a file, at each re-balancing :pre
 :ule

@ -32,6 +46,9 @@ keyword = {out} :l

 fix 2 all balance 1000 1.05 shift x 10 1.05
 fix 2 all balance 100 0.9 shift xy 20 1.1 out tmp.balance
+fix 2 all balance 100 0.9 shift xy 20 1.1 weight group 3 substrate 3.0 solvent 1.0 solute 0.8 out tmp.balance
+fix 2 all balance 100 1.0 shift x 10 1.1 weight time 0.8
+fix 2 all balance 100 1.0 shift xy 5 1.1 weight var myweight weight neigh 0.6 weight store allweight
 fix 2 all balance 1000 1.1 rcb :pre

 [Description:]
@ -44,14 +61,32 @@ rebalancing is performed periodically during the simulation.  To
 perform "static" balancing, before or between runs, see the
 "balance"_balance.html command.

-Load-balancing is typically only useful if the particles in the
-simulation box have a spatially-varying density distribution.  E.g. a
-model of a vapor/liquid interface, or a solid with an irregular-shaped
-geometry containing void regions.  In this case, the LAMMPS default of
-dividing the simulation box volume into a regular-spaced grid of 3d
-bricks, with one equal-volume sub-domain per processor, may assign
-very different numbers of particles per processor.  This can lead to
-poor performance when the simulation is run in parallel.
+Load-balancing is typically most useful if the particles in the
+simulation box have a spatially-varying density distribution or
+where the computational cost varies signficantly between different
+atoms. E.g. a model of a vapor/liquid interface, or a solid with
+an irregular-shaped geometry containing void regions, or
+"hybrid pair style simulations"_pair_hybrid.html which combine
+pair styles with different computational cost.  In these cases, the
+LAMMPS default of dividing the simulation box volume into a
+regular-spaced grid of 3d bricks, with one equal-volume sub-domain
+per procesor, may assign numbers of particles per processor in a
+way that the computational effort varies significantly.  This can
+lead to poor performance when the simulation is run in parallel.
+
+The balancing can be performed with or without per-particle weighting.
+With no weighting, the balancing attempts to assign an equal number of
+particles to each processor.  With weighting, the balancing attempts
+to assign an equal aggregate computational weight to each processor,
+which typically inducces a diffrent number of atoms assigned to each
+processor.
+
+NOTE: The weighting options listed above are documented with the
+"balance"_balance.html command in "this section of the balance
+command"_balance.html#weighted_balance doc page.  That section
+describes the various weighting options and gives a few examples of
+how they can be used.  The weighting options are the same for both the
+fix balance and "balance"_balance.html commands.

 Note that the "processors"_processors.html command allows some control
 over how the box volume is split across processors.  Specifically, for
@ -64,9 +99,9 @@ sub-domains will still have the same shape and same volume.
 On a particular timestep, a load-balancing operation is only performed
 if the current "imbalance factor" in particles owned by each processor
 exceeds the specified {thresh} parameter.  The imbalance factor is
-defined as the maximum number of particles owned by any processor,
-divided by the average number of particles per processor.  Thus an
-imbalance factor of 1.0 is perfect balance.
+defined as the maximum number of particles (or weight) owned by any
+processor, divided by the average number of particles (or weight) per
+processor.  Thus an imbalance factor of 1.0 is perfect balance.

 As an example, for 10000 particles running on 10 processors, if the
 most heavily loaded processor has 1200 particles, then the factor is
@ -117,8 +152,8 @@ applied.
 The {rcb} style is a "tiling" method which does not produce a logical
 3d grid of processors.  Rather it tiles the simulation domain with
 rectangular sub-boxes of varying size and shape in an irregular
-fashion so as to have equal numbers of particles in each sub-box, as
-in the rightmost diagram above.
+fashion so as to have equal numbers of particles (or weight) in each
+sub-box, as in the rightmost diagram above.

 The "grid" methods can be used with either of the
 "comm_style"_comm_style.html command options, {brick} or {tiled}.  The
@ -139,12 +174,9 @@ from scratch.

 :line

-The {group-ID} is currently ignored.  In the future it may be used to
-determine what particles are considered for balancing.  Normally it
-would only makes sense to use the {all} group.  But in some cases it
-may be useful to balance on a subset of the particles, e.g. when
-modeling large nanoparticles in a background of small solvent
-particles.
+The {group-ID} is ignored.  However the impact of balancing on
+different groups of atoms can be affected by using the {group} weight
+style as described below.

 The {Nfreq} setting determines how often a rebalance is performed.  If
 {Nfreq} > 0, then rebalancing will occur every {Nfreq} steps.  Each
@ -225,7 +257,7 @@ than {Niter} and exit early.

 The {rcb} style invokes a "tiled" method for balancing, as described
 above.  It performs a recursive coordinate bisectioning (RCB) of the
-simulation domain.  The basic idea is as follows.
+simulation domain. The basic idea is as follows.

 The simulation domain is cut into 2 boxes by an axis-aligned cut in
 the longest dimension, leaving one new box on either side of the cut.
@ -250,10 +282,10 @@ in that sub-box.

 :line

-The {out} keyword writes a text file to the specified {filename} with
-the results of each rebalancing operation.  The file contains the
-bounds of the sub-domain for each processor after the balancing
-operation completes.  The format of the file is compatible with the
+The {out} keyword writes text to the specified {filename} with the
+results of each rebalancing operation.  The file contains the bounds
+of the sub-domain for each processor after the balancing operation
+completes.  The format of the file is compatible with the
 "Pizza.py"_pizza {mdump} tool which has support for manipulating and
 visualizing mesh files.  An example is shown here for a balancing by 4
 processors for a 2d problem:
@ -321,8 +353,8 @@ values in the vector are as follows:
 3 = imbalance factor right before the last rebalance was performed :ul

 As explained above, the imbalance factor is the ratio of the maximum
-number of particles on any processor to the average number of
-particles per processor.
+number of particles (or total weight) on any processor to the average
+number of particles (or total weight) per processor.

 These quantities can be accessed by various "output
 commands"_Section_howto.html#howto_15.  The scalar and vector values
@ -336,11 +368,11 @@ minimization"_minimize.html.

 [Restrictions:]

-For 2d simulations, a "z" cannot appear in {dimstr} for the {shift}
-style.
+For 2d simulations, the {z} style cannot be used.  Nor can a "z"
+appear in {dimstr} for the {shift} style.

 [Related commands:]

-"processors"_processors.html, "balance"_balance.html
+"group"_group.html, "processors"_processors.html, "balance"_balance.html

 [Default:] none
--- a/doc/src/fix_cmap.txt
+++ b/doc/src/fix_cmap.txt
@ -0,0 +1,132 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Section_commands.html#comm)
+
+:line
+
+fix cmap command :h3
+
+[Syntax:]
+
+fix ID group-ID cmap filename :pre
+
+ID, group-ID are documented in "fix"_fix.html command
+cmap = style name of this fix command
+filename = force-field file with CMAP coefficients :ul
+
+[Examples:]
+
+fix            myCMAP all cmap ../potentials/cmap36.data
+read_data      proteinX.data fix myCMAP crossterm CMAP
+fix_modify     myCMAP energy yes :pre
+
+[Description:]
+
+This command enables CMAP crossterms to be added to simulations which
+use the CHARMM force field.  These are relevant for any CHARMM model
+of a peptide or protein sequences that is 3 or more amino-acid
+residues long; see "(Buck)"_#Buck and "(Brooks)"_#Brooks for details,
+including the analytic energy expressions for CMAP interactions.  The
+CMAP crossterms add additional potential energy contributions to pairs
+of overlapping phi-psi dihedrals of amino-acids, which are important
+to properly represent their conformational behavior.
+
+The examples/cmap directory has a sample input script and data file
+for a small peptide, that illustrates use of the fix cmap command.
+
+As in the example above, this fix should be used before reading a data
+file that contains a listing of CMAP interactions.  The {filename}
+specified should contain the CMAP parameters for a particular version
+of the CHARMM force field.  Two such files are including in the
+lammps/potentials directory: charmm22.cmap and charmm36.cmap.
+
+The data file read by the "read_data" must contain the topology of all
+the CMAP interactions, similar to the topology data for bonds, angles,
+dihedrals, etc.  Specically it should have a line like this
+in its header section:
+
+N crossterms :pre
+
+where N is the number of CMAP crossterms.  It should also have a section
+in the body of the data file like this with N lines:
+
+CMAP :pre
+
+       1       1       8      10      12      18      20
+       2       5      18      20      22      25      27
+       \[...\]
+       N       3     314     315     317      318    330 :pre
+
+The first column is an index from 1 to N to enumerate the CMAP terms;
+it is ignored by LAMMPS.  The 2nd column is the "type" of the
+interaction; it is an index into the CMAP force field file.  The
+remaining 5 columns are the atom IDs of the atoms in the two 4-atom
+dihedrals that overlap to create the CMAP 5-body interaction.  Note
+that the "crossterm" and "CMAP" keywords for the header and body
+sections match those specified in the read_data command following the
+data file name; see the "read_data"_read_data.html doc page for
+more details.
+
+A data file containing CMAP crossterms can be generated from a PDB
+file using the charmm2lammps.pl script in the tools/ch2lmp directory
+of the LAMMPS distribution.  The script must be invoked with the
+optional "-cmap" flag to do this; see the tools/ch2lmp/README file for
+more information.
+
+The potential energy associated with CMAP interactions can be output
+as described below.  It can also be included in the total potential
+energy of the system, as output by the
+"thermo_style"_thermo_style.html command, if the "fix_modify
+energy"_fix_modify.html command is used, as in the example above.  See
+the note below about how to include the CMAP energy when performing an
+"energy minimization"_minimize.html.
+
+:line
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+No information about this fix is written to "binary restart
+files"_restart.html.
+
+The "fix_modify"_fix_modify.html {energy} option is supported by this
+fix to add the potential "energy" of the CMAP interactions system's
+potential energy as part of "thermodynamic output"_thermo_style.html.
+
+This fix computes a global scalar which can be accessed by various
+"output commands"_Section_howto.html#howto_15.  The scalar is the
+potential energy discussed above.  The scalar value calculated by this
+fix is "extensive".
+
+No parameter of this fix can be used with the {start/stop} keywords of
+the "run"_run.html command.
+
+The forces due to this fix are imposed during an energy minimization,
+invoked by the "minimize"_minimize.html command.
+
+NOTE: If you want the potential energy associated with the CMAP terms
+forces to be included in the total potential energy of the system (the
+quantity being minimized), you MUST enable the
+"fix_modify"_fix_modify.html {energy} option for this fix.
+
+[Restrictions:]
+
+This fix can only be used if LAMMPS was built with the MOLECULE
+package (which it is by default).  See the "Making
+LAMMPS"_Section_start.html#start_3 section for more info on packages.
+
+[Related commands:]
+
+"fix_modify"_fix_modify.html, "read_data"_read_data.html
+
+[Default:] none
+
+:line
+
+:link(Buck)
+[(Buck)] Buck, Bouguet-Bonnet, Pastor, MacKerell Jr., Biophys J, 90, L36
+(2006).
+
+:link(Brooks)
+[(Brooks)] Brooks, Brooks, MacKerell Jr., J Comput Chem, 30, 1545 (2009).
--- a/doc/src/fix_colvars.txt
+++ b/doc/src/fix_colvars.txt
@ -39,8 +39,8 @@ metadynamics, Steered Molecular Dynamics (SMD) and Umbrella Sampling
 (US) via a flexible harmonic restraint bias. The colvars library is
 hosted at "http://colvars.github.io/"_http://colvars.github.io/

-This documentation describes only the fix colvars command itself and 
-LAMMPS specific parts of the code.  The full documentation of the 
+This documentation describes only the fix colvars command itself and
+LAMMPS specific parts of the code.  The full documentation of the
 colvars library is available as "this supplementary PDF document"_PDF/colvars-refman-lammps.pdf

 A detailed discussion of the implementation of the portable collective
@ -122,7 +122,7 @@ not a limitation of functionality.

 [Default:]

-The default options are input = NULL, output = out, seed = 1966, unwrap yes, 
+The default options are input = NULL, output = out, seed = 1966, unwrap yes,
 and tstat = NULL.

 :line
--- a/doc/src/fix_phonon.txt
+++ b/doc/src/fix_phonon.txt
@ -43,10 +43,11 @@ fix 1 all phonon 10 5000 500000 GAMMA EAM0D nasr 100 :pre
 Calculate the dynamical matrix from molecular dynamics simulations
 based on fluctuation-dissipation theory for a group of atoms.

-Consider a crystal with \(N\) unit cells in three dimensions labelled \(l = (l_1, l_2, l_3)\) where \(l_i\)
-are integers.  Each unit cell is defined by three linearly independent
-vectors \(\mathbf\{a\}_1\), \(\mathbf\{a\}_2\), \(\mathbf\{a\}_3\) forming a
-parallelipiped, containing \(K\) basis atoms labeled \(k\).
+Consider a crystal with \(N\) unit cells in three dimensions labelled
+\(l = (l_1, l_2, l_3)\) where \(l_i\) are integers.  Each unit cell is
+defined by three linearly independent vectors \(\mathbf\{a\}_1\),
+\(\mathbf\{a\}_2\), \(\mathbf\{a\}_3\) forming a parallelipiped,
+containing \(K\) basis atoms labeled \(k\).

 Based on fluctuation-dissipation theory, the force constant
 coefficients of the system in reciprocal space are given by
@ -62,18 +63,16 @@ where \(\mathbf\{G\}\) is the Green's functions coefficients given by
 \mathbf\{G\}_\{k\alpha,k^\prime \beta\}(\mathbf\{q\}) = \left< \mathbf\{u\}_\{k\alpha\}(\mathbf\{q\}) \bullet \mathbf\{u\}_\{k^\prime \beta\}^*(\mathbf\{q\}) \right>
 \end\{equation\}

-
 where \(\left< \ldots \right>\) denotes the ensemble average, and

 \begin\{equation\}
 \mathbf\{u\}_\{k\alpha\}(\mathbf\{q\}) = \sum_l \mathbf\{u\}_\{l k \alpha\} \exp\{(i\mathbf\{qr\}_l)\}
 \end\{equation\}

-
-is the \(\alpha\) component of the atomic displacement for the \(k\) th atom
-in the unit cell in reciprocal space at \(\mathbf\{q\}\). In practice, the Green's
-functions coefficients can also be measured according to the following
-formula,
+is the \(\alpha\) component of the atomic displacement for the \(k\)
+th atom in the unit cell in reciprocal space at \(\mathbf\{q\}\). In
+practice, the Green's functions coefficients can also be measured
+according to the following formula,

 \begin\{equation\}
 \mathbf\{G\}_\{k\alpha,k^\prime \beta\}(\mathbf\{q\}) =
@ -81,12 +80,13 @@ formula,
 - \left<\mathbf\{R\}\right>_\{k \alpha\}(\mathbf\{q\}) \bullet \left<\mathbf\{R\}\right>^*_\{k^\prime \beta\}(\mathbf\{q\})
 \end\{equation\}

-where \(\mathbf\{R\}\) is the instantaneous positions of atoms, and \(\left<\mathbf\{R\}\right>\) is the
-averaged atomic positions. It gives essentially the same results as
-the displacement method and is easier to implement in an MD code.
+where \(\mathbf\{R\}\) is the instantaneous positions of atoms, and
+\(\left<\mathbf\{R\}\right>\) is the averaged atomic positions. It
+gives essentially the same results as the displacement method and is
+easier to implement in an MD code.

-Once the force constant matrix is known, the dynamical matrix \(\mathbf\{D\}\) can
-then be obtained by
+Once the force constant matrix is known, the dynamical matrix
+\(\mathbf\{D\}\) can then be obtained by

 \begin\{equation\}
 \mathbf\{D\}_\{k\alpha, k^\prime\beta\}(\mathbf\{q\}) =
@ -100,10 +100,11 @@ two-point correlations.  To achieve this. the positions of the atoms
 are examined every {Nevery} steps and are Fourier-transformed into
 reciprocal space, where the averaging process and correlation
 computation is then done.  After every {Noutput} measurements, the
-matrix \(\mathbf\{G\}(\mathbf\{q\})\) is calculated and inverted to obtain the elastic
-stiffness coefficients.  The dynamical matrices are then constructed
-and written to {prefix}.bin.timestep files in binary format and to the
-file {prefix}.log for each wavevector \(\mathbf\{q\}\).
+matrix \(\mathbf\{G\}(\mathbf\{q\})\) is calculated and inverted to
+obtain the elastic stiffness coefficients.  The dynamical matrices are
+then constructed and written to {prefix}.bin.timestep files in binary
+format and to the file {prefix}.log for each wavevector
+\(\mathbf\{q\}\).

 A detailed description of this method can be found in
 ("Kong2011"_#Kong2011).
@ -126,12 +127,13 @@ which lattice point; the lattice indices start from 0. An auxiliary
 code, "latgen"_http://code.google.com/p/latgen, can be employed to
 generate the compatible map file for various crystals.

-In case one simulates an aperiodic system, where the whole simulation box
-is treated as a unit cell, one can set {map_file} as {GAMMA}, so that the mapping
-info will be generated internally and a file is not needed. In this case, the
-dynamical matrix at only the gamma-point will/can be evaluated. Please keep in
-mind that fix-phonon is designed for cyrstals, it will be inefficient and
-even degrade the performance of lammps in case the unit cell is too large.
+In case one simulates an aperiodic system, where the whole simulation
+box is treated as a unit cell, one can set {map_file} as {GAMMA}, so
+that the mapping info will be generated internally and a file is not
+needed. In this case, the dynamical matrix at only the gamma-point
+will/can be evaluated. Please keep in mind that fix-phonon is designed
+for cyrstals, it will be inefficient and even degrade the performance
+of lammps in case the unit cell is too large.

 The calculated dynamical matrix elements are written out in
 "energy/distance^2/mass"_units.html units.  The coordinates for {q}
--- a/doc/src/fix_ti_spring.txt
+++ b/doc/src/fix_ti_spring.txt
@ -99,8 +99,8 @@ center-of-mass fixed during the thermodynamic integration. A nonzero
 total velocity will result in divergences during the integration due
 to the fact that the atoms are 'attached' to their equilibrium
 positions by the Einstein crystal. Check the option {zero} of "fix
-langevin"_fix_langevin_html and "velocity"_velocity.html. The use of
-the Nose-Hoover thermostat ("fix nvt"_fix_nvt.html) is {NOT}
+langevin"_fix_langevin.html and "velocity"_velocity.html. The use of
+the Nose-Hoover thermostat ("fix nvt"_fix_nh.html) is {NOT}
 recommended due to its well documented issues with the canonical
 sampling of harmonic degrees of freedom (notice that the {chain}
 option will {NOT} solve this problem). The Langevin thermostat ("fix
--- a/doc/src/fix_wall_region.txt
+++ b/doc/src/fix_wall_region.txt
@ -85,8 +85,10 @@ to feel no force (they don't "see" the wall) when in one location,
 then move a distance epsilon, and suddenly feel a large force because
 they now "see" the wall.  In a worst-case scenario, this can blow
 particles out of the simulation box.  Thus, as a general rule you
-should not use the fix wall/region command with {union} or
-{interesect} regions that have convex points or edges.
+should not use the fix wall/gran/region command with {union} or
+{interesect} regions that have convex points or edges resulting from
+the union/intersection (convex points/edges in the union/intersection
+due to a single sub-region are still OK).

 NOTE: Similarly, you should not define {union} or {intersert} regions
 for use with this command that share an overlapping common face that
--- a/doc/src/fixes.txt
+++ b/doc/src/fixes.txt
@ -24,6 +24,7 @@ Fixes :h1
   fix_bond_create
   fix_bond_swap
   fix_box_relax
+   fix_cmap
   fix_colvars
   fix_controller
   fix_deform
@ -138,7 +139,6 @@ Fixes :h1
   fix_temp_rescale_eff
   fix_tfmc
   fix_thermal_conductivity
-   fix_ti_rs
   fix_ti_spring
   fix_tmd
   fix_ttm
--- a/doc/src/lammps.book
+++ b/doc/src/lammps.book
@ -147,6 +147,7 @@ fix_bond_break.html
 fix_bond_create.html
 fix_bond_swap.html
 fix_box_relax.html
+fix_cmap.html
 fix_colvars.html
 fix_controller.html
 fix_deform.html
--- a/doc/src/neb.txt
+++ b/doc/src/neb.txt
@ -48,17 +48,14 @@ follows the discussion in these 3 papers: "(HenkelmanA)"_#HenkelmanA,

 Each replica runs on a partition of one or more processors.  Processor
 partitions are defined at run-time using the -partition command-line
-switch; see "Section 2.7"_Section_start.html#start_7 of the
-manual.  Note that if you have MPI installed, you can run a
-multi-replica simulation with more replicas (partitions) than you have
-physical processors, e.g you can run a 10-replica simulation on just
-one or two processors.  You will simply not get the performance
-speed-up you would see with one or more physical processors per
-replica.  See "this section"_Section_howto.html#howto_5 of the manual
-for further discussion.
-
-NOTE: The current NEB implementation in LAMMPS only allows there to be
-one processor per replica.
+switch; see "Section 2.7"_Section_start.html#start_7 of the manual.
+Note that if you have MPI installed, you can run a multi-replica
+simulation with more replicas (partitions) than you have physical
+processors, e.g you can run a 10-replica simulation on just one or two
+processors.  You will simply not get the performance speed-up you
+would see with one or more physical processors per replica.  See
+"Section 6.5"_Section_howto.html#howto_5 of the manual for further
+discussion.

 NOTE: As explained below, a NEB calculation perfoms a damped dynamics
 minimization across all the replicas.  The mimimizer uses whatever
@ -255,12 +252,6 @@ An atom map must be defined which it is not by default for "atom_style
 atomic"_atom_style.html problems.  The "atom_modify
 map"_atom_modify.html command can be used to do this.

-The "atom_modify sort 0 0.0" command should be used to turn off atom
-sorting.
-
-NOTE: This sorting restriction will be removed in a future version of
-NEB in LAMMPS.
-
 The minimizers in LAMMPS operate on all atoms in your system, even
 non-NEB atoms, as defined above.  To prevent non-NEB atoms from moving
 during the minimization, you should use the "fix
--- a/doc/src/package.txt
+++ b/doc/src/package.txt
@ -142,7 +142,7 @@ the style options are set, either to default values or to specified
 settings.  I.e. settings from previous invocations do not persist
 across multiple invocations.

-See the "Section Accelerate"_Section_accelerate.html section of the
+See the "Section 5.3"_Section_accelerate.html#acc_3 section of the
 manual for more details about using the various accelerator packages
 for speeding up LAMMPS simulations.

--- a/doc/src/pair_gauss.txt
+++ b/doc/src/pair_gauss.txt
@ -63,7 +63,7 @@ solvent simulations of salt ions "(Lenart)"_#Lenart and of surfactants
 "(Jusufi)"_#Jusufi.  In these instances the Gaussian potential mimics
 the hydration barrier between a pair of particles. The hydration
 barrier is located at r_mh and has a width of sigma_h. The prefactor
-determines the hight of the potential barrier.
+determines the height of the potential barrier.

 The following coefficients must be defined for each pair of atom types
 via the "pair_coeff"_pair_coeff.html command as in the example above,
@ -73,9 +73,11 @@ commands:

 H (energy * distance units)
 r_mh (distance units)
-sigma_h (distance units) :ul
+sigma_h (distance units)
+cutoff (distance units) :ul

-The global cutoff (r_c) specified in the pair_style command is used.
+The last coefficient is optional. If not specified, the global cutoff
+is used.

 :line

--- a/doc/src/prd.txt
+++ b/doc/src/prd.txt
@ -63,14 +63,14 @@ event to occur.

 Each replica runs on a partition of one or more processors.  Processor
 partitions are defined at run-time using the -partition command-line
-switch; see "Section 2.7"_Section_start.html#start_7 of the
-manual.  Note that if you have MPI installed, you can run a
-multi-replica simulation with more replicas (partitions) than you have
-physical processors, e.g you can run a 10-replica simulation on one or
-two processors.  For PRD, this makes little sense, since this offers
-no effective parallel speed-up in searching for infrequent events. See
-"Section 6.5"_Section_howto.html#howto_5 of the manual for further
-discussion.
+switch; see "Section 2.7"_Section_start.html#start_7 of the manual.
+Note that if you have MPI installed, you can run a multi-replica
+simulation with more replicas (partitions) than you have physical
+processors, e.g you can run a 10-replica simulation on one or two
+processors.  However for PRD, this makes little sense, since running a
+replica on virtual instead of physical processors,offers no effective
+parallel speed-up in searching for infrequent events.  See "Section
+6.5"_Section_howto.html#howto_5 of the manual for further discussion.

 When a PRD simulation is performed, it is assumed that each replica is
 running the same model, though LAMMPS does not check for this.
@ -163,7 +163,7 @@ runs for {N} timesteps.  If the {time} value is {clock}, then the
 simulation runs until {N} aggregate timesteps across all replicas have
 elapsed.  This aggregate time is the "clock" time defined below, which
 typically advances nearly M times faster than the timestepping on a
-single replica.
+single replica, where M is the number of replicas.

 :line

@ -183,25 +183,26 @@ coincident events, and the replica number of the chosen event.

 The timestep is the usual LAMMPS timestep, except that time does not
 advance during dephasing or quenches, but only during dynamics.  Note
-that are two kinds of dynamics in the PRD loop listed above.  The
-first is when all replicas are performing independent dynamics,
-waiting for an event to occur.  The second is when correlated events
-are being searched for and only one replica is running dynamics.
+that are two kinds of dynamics in the PRD loop listed above that
+contribute to this timestepping.  The first is when all replicas are
+performing independent dynamics, waiting for an event to occur.  The
+second is when correlated events are being searched for, but only one
+replica is running dynamics.

-The CPU time is the total processor time since the start of the PRD
-run. 
+The CPU time is the total elapsed time on each processor, since the
+start of the PRD run.

 The clock is the same as the timestep except that it advances by M
-steps every timestep during the first kind of dynamics when the M
+steps per timestep during the first kind of dynamics when the M
 replicas are running independently.  The clock advances by only 1 step
-per timestep during the second kind of dynamics, since only a single
+per timestep during the second kind of dynamics, when only a single
 replica is checking for a correlated event.  Thus "clock" time
-represents the aggregate time (in steps) that effectively elapses
+represents the aggregate time (in steps) that has effectively elapsed
 during a PRD simulation on M replicas.  If most of the PRD run is
 spent in the second stage of the loop above, searching for infrequent
 events, then the clock will advance nearly M times faster than it
 would if a single replica was running.  Note the clock time between
-events will be drawn from p(t).
+successive events should be drawn from p(t).

 The event number is a counter that increments with each event, whether
 it is uncorrelated or correlated.
@ -212,14 +213,15 @@ replicas are running independently.  The correlation flag will be 1
 when a correlated event occurs during the third stage of the loop
 listed above, i.e. when only one replica is running dynamics.

-When more than one replica detects an event at the end of the second
-stage, then one of them is chosen at random. The number of coincident 
-events is the number of replicas that detected an event. Normally, we
-expect this value to be 1. If it is often greater than 1, then either
-the number of replicas is too large, or {t_event} is too large.
+When more than one replica detects an event at the end of the same
+event check (every {t_event} steps) during the the second stage, then
+one of them is chosen at random.  The number of coincident events is
+the number of replicas that detected an event.  Normally, this value
+should be 1.  If it is often greater than 1, then either the number of
+replicas is too large, or {t_event} is too large.

-The replica number is the ID of the replica (from 0 to M-1) that
-found the event.
+The replica number is the ID of the replica (from 0 to M-1) in which
+the event occurred.

 :line

@ -286,7 +288,7 @@ This command can only be used if LAMMPS was built with the REPLICA
 package.  See the "Making LAMMPS"_Section_start.html#start_3 section
 for more info on packages.

-{N} and {t_correlate} settings must be integer multiples of
+The {N} and {t_correlate} settings must be integer multiples of
 {t_event}.

 Runs restarted from restart file written during a PRD run will not
--- a/doc/src/python.txt
+++ b/doc/src/python.txt
@ -97,7 +97,7 @@ be passed to various commands as arguments, so that the variable is
 evaluated during a simulation run.

 A broader overview of how Python can be used with LAMMPS is
-given in "Section python"_Section_python.html.  There is an
+given in "Section 11"_Section_python.html.  There is an
 examples/python directory which illustrates use of the python
 command.

--- a/doc/src/read_restart.txt
+++ b/doc/src/read_restart.txt
@ -124,7 +124,7 @@ MPI-IO requires two steps.  First, build LAMMPS with its MPIIO package
 installed, e.g.

 make yes-mpiio    # installs the MPIIO package
-make g++          # build LAMMPS for your platform :pre
+make mpi          # build LAMMPS for your platform :pre

 Second, use a restart filename which contains ".mpiio".  Note that it
 does not have to end in ".mpiio", just contain those characters.
--- a/doc/src/region.txt
+++ b/doc/src/region.txt
@ -186,7 +186,7 @@ functions, and include "thermo_style"_thermo_style.html command
 keywords for the simulation box parameters and timestep and elapsed
 time.  Thus it is easy to specify a time-dependent radius.

-See "Section_howto 12"_Section_howto.html#howto_12 of the doc pages
+See "Section 6.12"_Section_howto.html#howto_12 of the doc pages
 for a geometric description of triclinic boxes, as defined by LAMMPS,
 and how to transform these parameters to and from other commonly used
 triclinic representations.
@ -361,7 +361,7 @@ sub-regions can be defined with the {open} keyword.
 Styles with a {kk} suffix are functionally the same as the
 corresponding style without the suffix.  They have been optimized to
 run faster, depending on your available hardware, as discussed in
-"Section_accelerate"_Section_accelerate.html of the manual.  The
+"Section 5"_Section_accelerate.html of the manual.  The
 accelerated styles take the same arguments and should produce the same
 results, except for round-off and precision issues.

@ -378,7 +378,7 @@ by including their suffix, or you can use the "-suffix command-line
 switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
 use the "suffix"_suffix.html command in your input script.

-See "Section_accelerate"_Section_accelerate.html of the manual for
+See "Section 5"_Section_accelerate.html of the manual for
 more instructions on how to use the accelerated styles effectively.

 :line
--- a/doc/src/restart.txt
+++ b/doc/src/restart.txt
@ -82,7 +82,7 @@ versions 2.0 and above.  Using MPI-IO requires two steps.  First,
 build LAMMPS with its MPIIO package installed, e.g.

 make yes-mpiio    # installs the MPIIO package
-make g++          # build LAMMPS for your platform :pre
+make mpi          # build LAMMPS for your platform :pre

 Second, use a restart filename which contains ".mpiio".  Note that it
 does not have to end in ".mpiio", just contain those characters.
--- a/doc/src/variable.txt
+++ b/doc/src/variable.txt
@ -1121,7 +1121,7 @@ with a leading $ sign (e.g. $x or $\{abc\}) versus with a leading "v_"
 (e.g. v_x or v_abc).  The former can be used in any input script
 command, including a variable command.  The input script parser
 evaluates the reference variable immediately and substitutes its value
-into the command.  As explained in "Section commands
+into the command.  As explained in "Section
 3.2"_Section_commands.html#cmd_2 for "Parsing rules", you can also use
 un-named "immediate" variables for this purpose.  For example, a
 string like this $((xlo+xhi)/2+sqrt(v_area)) in an input script
--- a/doc/src/velocity.txt
+++ b/doc/src/velocity.txt
@ -139,7 +139,7 @@ if rot = yes, the angular momentum is zeroed.
 If specified, the {temp} keyword is used by {create} and {scale} to
 specify a "compute"_compute.html that calculates temperature in a
 desired way, e.g. by first subtracting out a velocity bias, as
-discussed in "Section howto 16"_Section_howto.html#howto_15 of the doc
+discussed in "Section 6.16"_Section_howto.html#howto_16 of the doc
 pages.  If this keyword is not specified, {create} and {scale}
 calculate temperature using a compute that is defined internally as
 follows:
@ -161,8 +161,8 @@ The {bias} keyword with a {yes} setting is used by {create} and
 If the temperature compute also calculates a velocity bias, the the
 bias is subtracted from atom velocities before the {create} and
 {scale} operations are performed.  After the operations, the bias is
-added back to the atom velocities.  See "Section howto
-16"_Section_howto.html#howto_15 of the doc pages for more discussion
+added back to the atom velocities.  See "Section
+6.16"_Section_howto.html#howto_16 of the doc pages for more discussion
 of temperature computes with biases.  Note that the velocity bias is
 only applied to atoms in the temperature compute specified with the
 {temp} keyword.
--- a/doc/src/write_restart.txt
+++ b/doc/src/write_restart.txt
@ -55,7 +55,7 @@ versions 2.0 and above.  Using MPI-IO requires two steps.  First,
 build LAMMPS with its MPIIO package installed, e.g.

 make yes-mpiio    # installs the MPIIO package
-make g++          # build LAMMPS for your platform :pre
+make mpi          # build LAMMPS for your platform :pre

 Second, use a restart filename which contains ".mpiio".  Note that it
 does not have to end in ".mpiio", just contain those characters.
--- a/doc/utils/converters/lammpsdoc/lammps_filters.py
+++ b/doc/utils/converters/lammpsdoc/lammps_filters.py
@ -90,3 +90,24 @@ def promote_doc_keywords(content):

 def filter_multiple_horizontal_rules(content):
    return re.sub(r"----------[\s\n]+----------", '', content)
+
+
+def merge_preformatted_sections(content):
+    mergable_section_pattern = re.compile(r"\.\. parsed-literal::\n"
+                                          r"\n"
+                                          r"(?P<listingA>((   [^\n]+\n)|(^\n))+)\n\s*"
+                                          r"^\.\. parsed-literal::\n"
+                                          r"\n"
+                                          r"(?P<listingB>((   [^\n]+\n)|(^\n))+)\n", re.MULTILINE | re.DOTALL)
+
+    m = mergable_section_pattern.search(content)
+
+    while m:
+        content = mergable_section_pattern.sub(r".. parsed-literal::\n"
+                                            r"\n"
+                                            r"\g<listingA>"
+                                            r"\g<listingB>"
+                                            r"\n", content)
+        m = mergable_section_pattern.search(content)
+
+    return content
--- a/doc/utils/converters/lammpsdoc/txt2rst.py
+++ b/doc/utils/converters/lammpsdoc/txt2rst.py
@ -73,10 +73,13 @@ class RSTMarkup(Markup):
    def unescape_rst_chars(self, text):
        text = text.replace('\\*', '*')
        text = text.replace('\\^', '^')
-        text = text.replace('\\_', '_')
+        text = self.unescape_underscore(text)
        text = text.replace('\\|', '|')
        return text

+    def unescape_underscore(self, text):
+        return text.replace('\\_', '_')
+
    def inline_math(self, text):
        start_pos = text.find("\\(")
        end_pos = text.find("\\)")
@ -136,6 +139,7 @@ class RSTFormatting(Formatting):
        return content.strip()

    def preformat(self, content):
+        content = self.markup.unescape_underscore(content)
        if self.indent_level > 0:
            return self.list_indent("\n.. parsed-literal::\n\n" + self.indent(content.rstrip()), self.indent_level)
        return "\n.. parsed-literal::\n\n" + self.indent(content.rstrip())
@ -355,6 +359,7 @@ class Txt2Rst(TxtParser):
        self.document_filters.append(lammps_filters.detect_and_add_command_to_index)
        self.document_filters.append(lammps_filters.filter_multiple_horizontal_rules)
        self.document_filters.append(lammps_filters.promote_doc_keywords)
+        self.document_filters.append(lammps_filters.merge_preformatted_sections)

    def is_ignored_textblock_begin(self, line):
        return line.startswith('<!-- HTML_ONLY -->')
--- a/doc/utils/converters/tests/test_txt2rst.py
+++ b/doc/utils/converters/tests/test_txt2rst.py
@ -169,6 +169,13 @@ class TestFormatting(unittest.TestCase):
                         "       Hello\n"
                         "       World\n\n", s)

+    def test_preformat_formatting_with_underscore(self):
+        s = self.txt2rst.convert("if MPI.COMM_WORLD.rank == 0:\n"
+                                 "    print(\"Potential energy: \", L.eval(\"pe\")) :pre\n")
+        self.assertEqual("\n.. parsed-literal::\n\n"
+                         "   if MPI.COMM_WORLD.rank == 0:\n"
+                         "       print(\"Potential energy: \", L.eval(\"pe\"))\n\n", s)
+
    def test_header_formatting(self):
        s = self.txt2rst.convert("Level 1 :h1\n"
                                 "Level 2 :h2\n"
--- a/examples/README
+++ b/examples/README
@ -61,6 +61,7 @@ sub-directories:
 accelerate: use of all the various accelerator packages
 balance:  dynamic load balancing, 2d system
 body:     body particles, 2d system
+cmap:     CMAP 5-body contributions to CHARMM force field
 colloid:  big colloid particles in a small particle solvent, 2d system
 coreshell: adiabatic core/shell model
 comb:	  models using the COMB potential
--- a/examples/USER/misc/ti/in.ti_spring
+++ b/examples/USER/misc/ti/in.ti_spring
--- a/examples/balance/in.balance.clock.dynamic
+++ b/examples/balance/in.balance.clock.dynamic
@ -0,0 +1,55 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+compute		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 shift x 10 1.0 &
+                weight time 1.0 weight store WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
+run		500
+fix		0 all balance 50 1.0 shift x 5 1.0 &
+                weight neigh 0.5 weight time 0.66 weight store WEIGHT
+run             500
+run             500
+
--- a/examples/balance/in.balance.clock.static
+++ b/examples/balance/in.balance.clock.static
@ -0,0 +1,48 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+group		slow type 2
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt 
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt 
+run		250
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt 
+run 		250
--- a/examples/balance/in.balance.group.dynamic
+++ b/examples/balance/in.balance.group.dynamic
@ -0,0 +1,47 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+group		slow type 2
+balance		1.0 shift x 5 1.1 &
+                weight group 2 fast 1.0 slow ${factor} # out weighted.txt
+fix		0 all balance 10 1.0 shift x 5 1.1 &
+                weight group 2 fast 1.0 slow ${factor}
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
--- a/examples/balance/in.balance.group.static
+++ b/examples/balance/in.balance.group.static
@ -0,0 +1,54 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+balance		1.0 shift x 5 1.1 # out unweighted.txt
+
+balance		1.0 x uniform
+
+variable        weight atom (type==1)*1.0+(type==2)*v_factor
+balance		1.0 shift x 5 1.1 weight var weight # out weighted_var.txt
+
+balance		1.0 x uniform
+
+group		fast type 1
+group		slow type 2
+balance		1.0 shift x 5 1.1 &
+                weight group 2 fast 1.0 slow ${factor} # out weighted_group.txt
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
--- a/examples/balance/in.balance.kspace
+++ b/examples/balance/in.balance.kspace
@ -0,0 +1,47 @@
+# 3d Lennard-Jones melt
+
+units		lj
+#atom_style	charge
+processors      * 1 1
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+#set type 1:2    charge 0.0
+
+velocity	all create 1.0 87287
+
+pair_style	lj/long/coul/long long off 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+kspace_style    pppm/disp 1.0e-4
+kspace_modify   gewald/disp 0.1
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+group		slow type 2
+fix		0 all balance 20 1.0 shift x 5 1.0 &
+                weight group 2 fast 1.0 slow 2.0 weight time 0.66
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
--- a/examples/balance/in.balance.neigh.dynamic
+++ b/examples/balance/in.balance.neigh.dynamic
@ -0,0 +1,53 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 shift x 5 1.0 &
+                weight neigh 0.8 weight store WEIGHT
+compute		p all property/atom d_WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mp4 c_p type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 amap 0.0 2.0 cf 0.1 3 min blue 0.5 green max red
+
+thermo		50
+run		500
+run		500
+run             500
+run             500
+
--- a/examples/balance/in.balance.neigh.rcb
+++ b/examples/balance/in.balance.neigh.rcb
@ -0,0 +1,53 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+comm_style	tiled
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 rcb weight neigh 0.8 weight store WEIGHT
+compute		p all property/atom d_WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+
+run		250
+run             250
+
--- a/examples/balance/in.balance.neigh.static
+++ b/examples/balance/in.balance.neigh.static
@ -0,0 +1,51 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+balance		1.0 shift x 10 1.0 weight neigh 0.8 # out weighted_var.txt
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250 post no
+balance		1.0 shift x 10 1.0 weight neigh 0.8
+run             250 post no
+balance		1.0 shift x 10 1.0 weight neigh 0.8
+run             250 post no
+balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
+run             250
+balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
+run             250
+
--- a/examples/balance/in.balance.var.dynamic
+++ b/examples/balance/in.balance.var.dynamic
@ -0,0 +1,66 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+create_box	3 box
+create_atoms	1 box
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+compute		p all property/atom d_WEIGHT
+
+group		fast type 1
+group		slow type 2
+balance		1.0 shift x 10 1.0 &
+                weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
+variable	lastweight atom c_p
+
+fix		0 all balance 50 1.0 shift x 10 1.0 &
+                weight var lastweight weight time 0.5 weight store WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
+run		500
+
+balance		1.0 shift x 10 1.0 &
+                weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
+
+fix		0 all balance 50 1.0 shift x 5 1.0 &
+                weight var lastweight weight neigh 0.5 weight store WEIGHT
+
+run             500
+run             500
--- a/examples/balance/log.15Feb16.balance.bond.fast.g++.1
+++ b/examples/balance/log.15Feb16.balance.bond.fast.g++.1
@ -1,225 +0,0 @@
-LAMMPS (15 Feb 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-variable	v index 5
-variable	w index 2
-
-units		lj
-dimension       2
-atom_style	bond
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box bond/types 1 extra/bond/per/atom 6
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  1 by 1 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 5 $w 0 sum yes
-velocity        all set 5 2 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-bond_style      harmonic
-bond_coeff      1 10.0 1.2
-
-# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
-
-special_bonds   lj/coul 0 1 1
-  0 = max # of 1-2 neighbors
-  1 = max # of special neighbors
-create_bonds    all all 1 1.0 1.5
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Added 1014 bonds, new total = 1014
-  6 = max # of 1-2 neighbors
-  6 = max # of special neighbors
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-comm_modify     cutoff 7.5
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom (c_1%10)+1
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		10000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 7.5
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 4.44301 Mbytes
-Step Temp E_pair Press 10[3] 10 
-       0    25.701528   -2.2032569    3.1039469            1            1 
-     100    27.623422    -6.228166    2.6542136            1            1 
-     200     33.35302   -15.746749    3.2018248            1            1 
-     300     39.17734     -24.1557    4.9116986            1            1 
-     400    41.660701   -27.615203    8.6214678            1            1 
-     500    37.154935   -24.096962    3.2656162            1            1 
-     600    35.061294    -21.52655    2.3693223            1            1 
-     700    37.204395   -22.313267    2.7108913            1            1 
-     800    39.050704   -24.972147    5.5398741            1            1 
-     900     38.37275   -24.777769    3.9291488            1            1 
-    1000    39.147816   -26.003699    4.3586203            1            1 
-    1100    36.084337    -24.88638    4.5496174            1            1 
-    1200    32.404559   -20.810803    6.0760128            1            1 
-    1300    32.625538   -19.709411    4.3718289            1            1 
-    1400    32.246777   -18.785184     3.435959            1            1 
-    1500    29.174368   -17.434726    2.2702916            1            1 
-    1600    27.359273    -15.40756     1.033659            1            1 
-    1700    26.046626   -14.318045   0.87714473            1            1 
-    1800    24.540401   -13.017686   0.84464169            1            1 
-    1900    26.259688   -12.777739   0.80954004            1            1 
-    2000    27.491023   -13.363863    1.4519188            1            1 
-    2100    27.839831   -13.709118    3.0184763            1            1 
-    2200    26.669065   -12.710422    1.4560094            1            1 
-    2300     26.86742   -12.730386   0.16986139            1            1 
-    2400    26.375504   -12.476682     1.907352            1            1 
-    2500    26.581263   -12.530908    1.5507765            1            1 
-    2600     27.67091   -12.922702    2.0391206            1            1 
-    2700    27.158784   -13.306789    3.7355268            1            1 
-    2800    25.635671   -13.502047    2.9431633            1            1 
-    2900    24.648357   -12.388002   0.44910075            1            1 
-    3000    22.988768   -10.685349   0.37214853            1            1 
-    3100    21.788719   -10.171928  -0.95734833            1            1 
-    3200    22.707514   -9.6682633  -0.32868418            1            1 
-    3300    22.907772   -10.612766 -0.024319089            1            1 
-    3400    24.276426   -10.802246   0.44731188            1            1 
-    3500    25.086959   -10.797849    2.3218091            1            1 
-    3600    26.064365   -12.589537    1.2460738            1            1 
-    3700    24.656426   -11.956895   0.57862216            1            1 
-    3800    22.316856   -11.174148   -0.7567936            1            1 
-    3900    22.590299   -9.5928781    0.4127727            1            1 
-    4000    22.353461   -9.5887736  -0.34247396            1            1 
-    4100    24.103395     -9.76584   0.98989862            1            1 
-    4200     23.92261   -10.566828  -0.71536268            1            1 
-    4300     24.44409   -11.358378   0.37166197            1            1 
-    4400    24.772419   -11.324888   0.26732853            1            1 
-    4500    23.150748   -11.309892  -0.43134573            1            1 
-    4600    24.008361   -10.212365   0.43277527            1            1 
-    4700    25.107401   -9.5753673  0.020406689            1            1 
-    4800    23.658604   -8.9131426   0.46554745            1            1 
-    4900    22.530251    -9.023311 -0.014405315            1            1 
-    5000    23.110692   -9.6567397    0.9033234            1            1 
-    5100    23.760144   -9.7623416   0.32059726            1            1 
-    5200    25.048012   -9.6748253   0.66411561            1            1 
-    5300     24.09835   -9.7867216   0.61128267            1            1 
-    5400    22.984982   -9.9464053   0.28096544            1            1 
-    5500    22.502003   -9.9294451  -0.53666181            1            1 
-    5600    23.712298   -10.054318   0.64334761            1            1 
-    5700    23.350796   -10.217344    2.1979894            1            1 
-    5800    25.246549   -12.458753  0.055553025            1            1 
-    5900    24.422272   -10.641177   0.82506839            1            1 
-    6000    22.478315   -10.629525    -0.774321            1            1 
-    6100    22.970846   -10.218868   0.59819592            1            1 
-    6200    24.500063   -10.355481   0.55427078            1            1 
-    6300    22.358071   -9.9041539   0.89500518            1            1 
-    6400    23.924951   -11.121442  0.045999129            1            1 
-    6500     24.83773   -10.464191    2.0048038            1            1 
-    6600    24.752158   -9.9939162   0.53794465            1            1 
-    6700    23.073765   -9.3662561   0.38618685            1            1 
-    6800    21.940219   -8.4948475  -0.25184019            1            1 
-    6900     22.23783   -8.8668868 0.0072863367            1            1 
-    7000    25.667836   -10.473211   0.59852886            1            1 
-    7100    23.352123   -9.0862268   0.85289283            1            1 
-    7200    24.072107   -9.4020576  0.090222808            1            1 
-    7300    22.806746   -8.4687857  -0.46892989            1            1 
-    7400    24.798425   -9.1144357  -0.38738146            1            1 
-    7500    24.748499   -9.1560558   0.94929896            1            1 
-    7600    25.364753   -10.176533    0.2649225            1            1 
-    7700    25.137988   -9.6617897    1.3920543            1            1 
-    7800    25.502583   -10.320832   0.64812816            1            1 
-    7900      24.5208   -9.9466543 -0.084071026            1            1 
-    8000    24.653522   -10.312942   0.32535023            1            1 
-    8100    23.129565   -9.6250435  0.016356303            1            1 
-    8200     23.82421   -9.7608023   0.11631418            1            1 
-    8300    25.081262   -9.3510452   0.92337854            1            1 
-    8400    24.328205   -9.2875396   0.28266968            1            1 
-    8500    25.041711   -11.254976  -0.21368615            1            1 
-    8600    24.111473   -9.0389585    1.2102938            1            1 
-    8700     23.50066   -9.0926498   0.78819229            1            1 
-    8800    23.840962   -9.3434474  0.091313007            1            1 
-    8900    23.081841   -9.0635966   0.56672001            1            1 
-    9000    24.712103   -9.3243213   0.60301629            1            1 
-    9100    24.457422    -9.439298  -0.60457515            1            1 
-    9200    25.070662   -9.1945782    1.2399235            1            1 
-    9300    25.019869   -8.7910068   0.42340497            1            1 
-    9400     24.23662   -9.3111098  -0.75379175            1            1 
-    9500    24.836827   -8.7324281   0.81857501            1            1 
-    9600    24.901993   -8.6624128   0.84890877            1            1 
-    9700    24.936686   -8.9869503    1.9627894            1            1 
-    9800    25.393368   -9.8538595   0.45344428            1            1 
-    9900    25.942336   -9.7854728   0.68352091            1            1 
-   10000    24.636319   -9.3369442   0.62793231            1            1 
-Loop time of 1.67474 on 1 procs for 10000 steps with 361 atoms
-
-Performance: 2579511.004 tau/day, 5971.090 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
-Pair    | 0.47884    | 0.47884    | 0.47884    |   0.0 | 28.59
-Bond    | 0.24918    | 0.24918    | 0.24918    |   0.0 | 14.88
-Neigh   | 0.82974    | 0.82974    | 0.82974    |   0.0 | 49.54
-Comm    | 0.01265    | 0.01265    | 0.01265    |   0.0 |  0.76
-Output  | 0.00085878 | 0.00085878 | 0.00085878 |   0.0 |  0.05
-Modify  | 0.075636   | 0.075636   | 0.075636   |   0.0 |  4.52
-Other   |            | 0.02783    |            |       |  1.66
-
-Nlocal:    361 ave 361 max 361 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    2421 ave 2421 max 2421 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 2421
-Ave neighs/atom = 6.70637
-Ave special neighs/atom = 5.61773
-Neighbor list builds = 4937
-Dangerous builds = 5
-Total wall time: 0:00:01
--- a/examples/balance/log.15Feb16.balance.bond.fast.g++.4
+++ b/examples/balance/log.15Feb16.balance.bond.fast.g++.4
@ -1,225 +0,0 @@
-LAMMPS (15 Feb 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-variable	v index 5
-variable	w index 2
-
-units		lj
-dimension       2
-atom_style	bond
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box bond/types 1 extra/bond/per/atom 6
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  2 by 2 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 5 $w 0 sum yes
-velocity        all set 5 2 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-bond_style      harmonic
-bond_coeff      1 10.0 1.2
-
-# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
-
-special_bonds   lj/coul 0 1 1
-  0 = max # of 1-2 neighbors
-  1 = max # of special neighbors
-create_bonds    all all 1 1.0 1.5
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Added 1014 bonds, new total = 1014
-  6 = max # of 1-2 neighbors
-  6 = max # of special neighbors
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-comm_modify     cutoff 7.5
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom (c_1%10)+1
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		10000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 7.5
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 4.49421 Mbytes
-Step Temp E_pair Press 10[3] 10 
-       0    25.701528   -2.2032569    3.1039469    3.2354571    1.0526316 
-     100    27.623422    -6.228166    2.6542136    1.2631579    1.0083102 
-     200     33.35302   -15.746749    3.2018248    1.2963989    1.0193906 
-     300     39.17734     -24.1557    4.9116986    1.2963989    1.0193906 
-     400    41.660701   -27.615203    8.6214679    1.3518006    1.0083102 
-     500    37.154928   -24.096947    3.2656178    1.3296399    1.0193906 
-     600    35.059889   -21.524279     2.372849    1.3296399    1.0083102 
-     700     36.70516    -21.98396    3.2995108    1.3296399    1.0083102 
-     800     39.53521   -25.672748    4.3257712    1.3961219    1.0083102 
-     900    38.566797   -24.778382    4.1874914    1.3739612    1.0083102 
-    1000    37.506157   -25.381025    5.6634589    1.4182825    1.0193906 
-    1100    34.186888   -23.460558    5.2123037    1.2963989    1.0083102 
-    1200    33.302788   -22.509552    4.9394032    1.1745152    1.0193906 
-    1300    33.271956   -22.831342    4.5519649    1.1966759    1.0083102 
-    1400    30.344677   -20.654604    4.1641375    1.0969529    1.0193906 
-    1500    27.292624   -18.180523    1.0686706    1.1412742    1.0083102 
-    1600    26.787948   -15.907011    1.7236133    1.1745152    1.0193906 
-    1700    25.708419   -15.568774   0.73006531    1.1080332    1.0193906 
-    1800    26.523196   -14.641077   0.78443231    1.1301939    1.0083102 
-    1900    25.151151   -13.927975    1.1760729    1.1080332    1.0193906 
-    2000    27.637036   -15.055467    1.5903524    1.1301939    1.0083102 
-    2100    27.642772   -14.038356    2.4101976    1.2077562    1.0083102 
-    2200    27.178261   -13.277262    1.9252291    1.1745152    1.0193906 
-    2300    25.615526    -12.67851   0.88527229    1.1634349    1.0083102 
-    2400    24.918218   -13.029669   0.95714212    1.1966759    1.0193906 
-    2500    27.302154    -13.02629    1.3556788    1.1080332    1.0193906 
-    2600    26.798157    -13.78042     2.703198    1.1855956    1.0083102 
-    2700     27.24573   -16.504845    3.1771274    1.1523546    1.0193906 
-    2800    24.592313   -14.795322    1.6473982    1.0969529    1.0193906 
-    2900    22.803769   -13.043913   0.71978239    1.0969529    1.0083102 
-    3000    21.388681   -13.323114   -1.3437735    1.0858726    1.0083102 
-    3100    21.929044   -11.627262  -0.38509856    1.1191136    1.0083102 
-    3200    22.350115   -10.438826    0.7833392    1.0526316    1.0083102 
-    3300    22.619011   -9.9110914    1.4143766    1.1191136    1.0193906 
-    3400    24.251234   -11.712256    1.4299187    1.0969529    1.0193906 
-    3500    25.633796   -12.609976    1.4809529    1.0969529    1.0083102 
-    3600    23.070279   -11.178798   0.35315388    1.1191136    1.0083102 
-    3700    22.635771   -10.360523  0.060253018    1.1412742    1.0193906 
-    3800    20.746426   -9.7066538   0.24549731    1.0526316    1.0083102 
-    3900    22.467121   -10.469368    0.9854352    1.0969529    1.0193906 
-    4000    22.658639   -10.781605  0.014232783    1.1191136    1.0083102 
-    4100    22.839698   -10.528796    1.3995223    1.0526316    1.0083102 
-    4200     23.52621   -12.150065   0.74863439    1.0747922    1.0193906 
-    4300    24.401948   -11.703236   0.25019621    1.0637119    1.0193906 
-    4400    22.769001   -11.763045 -0.033044917    1.1412742    1.0083102 
-    4500    22.170178   -11.572473  -0.40444128    1.0526316    1.0083102 
-    4600    22.409231   -10.761099 -0.012942618    1.0747922    1.0083102 
-    4700    22.953641   -10.999181   0.17199357    1.0637119    1.0083102 
-    4800    22.746977    -10.69943 -0.050664647    1.0526316    1.0083102 
-    4900    23.784023   -10.353932   0.55400224    1.0747922    1.0304709 
-    5000    23.250563   -11.567067  -0.23735032    1.0637119    1.0083102 
-    5100    22.521138   -10.661998   0.50094359    1.0747922    1.0083102 
-    5200    21.318659   -9.5996948   0.75683786    1.0637119    1.0193906 
-    5300    21.603355   -10.042239   -0.2376815    1.0637119    1.0083102 
-    5400    21.350407   -10.181041  -0.87085628    1.1745152    1.0193906 
-    5500    22.430002   -10.535576   0.47962005    1.1191136    1.0193906 
-    5600    22.459036   -11.914086   0.47719353    1.0858726    1.0193906 
-    5700    23.348257   -12.888911   0.55511547    1.0858726    1.0193906 
-    5800    23.357742   -12.328566     0.734193    1.0526316    1.0193906 
-    5900    24.002277   -11.439187   0.23688862    1.0858726    1.0193906 
-    6000    22.398563   -10.682615   0.28777592    1.0747922    1.0193906 
-    6100     22.23883   -10.838986  -0.17956279    1.1080332    1.0083102 
-    6200    21.930735   -11.182485  0.044031465    1.0526316    1.0193906 
-    6300    22.658226   -11.142419  0.060550217    1.0526316    1.0193906 
-    6400    22.375935     -11.1764 -0.027267206    1.0526316    1.0193906 
-    6500    21.553541   -9.9609653    1.0562139    1.0858726    1.0193906 
-    6600    23.339323   -10.988956   0.19462502    1.0526316    1.0083102 
-    6700    22.506968   -11.276791   0.50225378    1.0969529    1.0083102 
-    6800    22.991741   -10.292043    1.3278137    1.0858726    1.0193906 
-    6900    22.716461   -10.540264     1.090723    1.0304709    1.0083102 
-    7000     20.88433   -10.566053  -0.47976012    1.0969529    1.0193906 
-    7100    22.034864    -10.27774   0.24169213    1.0193906    1.0083102 
-    7200    23.107403   -10.304771   0.39888005    1.0969529    1.0304709 
-    7300    22.734104   -9.8038963    1.1986757    1.0858726    1.0083102 
-    7400    23.566402   -10.560548    1.0213434    1.1080332    1.0193906 
-    7500    23.651346   -10.596902     1.290057    1.0969529    1.0083102 
-    7600    23.181407   -10.247073   0.80701327    1.0526316    1.0083102 
-    7700    23.778698   -10.659208   0.54327672    1.0304709    1.0193906 
-    7800    22.655159   -10.183303   0.81382393    1.0747922    1.0193906 
-    7900    22.897008   -10.849819   0.56424197    1.0415512    1.0083102 
-    8000    23.698074   -10.398048   0.42170034    1.0747922    1.0083102 
-    8100    22.726563   -9.8563277   0.30293638    1.0193906    1.0193906 
-    8200    23.424699   -10.687885   0.54222367    1.0415512    1.0083102 
-    8300    22.921826   -10.919492   0.55264172    1.0747922    1.0083102 
-    8400    23.220159   -9.7725217    1.2872547    1.1080332    1.0083102 
-    8500    23.606204   -9.7070499    1.0340181    1.0747922    1.0193906 
-    8600    23.008166   -10.451507  -0.42524326    1.0747922    1.0083102 
-    8700      22.4959   -10.278782   0.19535494    1.0858726    1.0083102 
-    8800    25.153658      -10.757    1.5966743    1.0193906    1.0193906 
-    8900    23.206798   -10.486994    1.2031737    1.0637119    1.0083102 
-    9000    22.726684   -10.406196   0.10165144    1.0858726    1.0304709 
-    9100    22.504045    -9.638919  -0.80560991    1.0747922    1.0083102 
-    9200    21.431928    -9.073801    0.3773795    1.0415512    1.0193906 
-    9300    23.596502   -11.045041   -0.3135787    1.0858726    1.0083102 
-    9400    25.308669   -11.931174    1.3143518    1.0526316    1.0193906 
-    9500    24.394499   -10.661499   0.82236963    1.0969529    1.0193906 
-    9600    21.987451   -9.5632699   0.30728292    1.0858726    1.0193906 
-    9700    22.150748   -9.5707928   -0.1239396    1.0526316    1.0193906 
-    9800    23.347328   -9.7899306   0.29737715    1.0193906    1.0083102 
-    9900    20.310207   -9.4839992   -1.2980277    1.0193906    1.0193906 
-   10000    22.978427   -9.9593786  -0.45943368    1.0526316    1.0083102 
-Loop time of 0.815364 on 4 procs for 10000 steps with 361 atoms
-
-Performance: 5298244.819 tau/day, 12264.456 timesteps/s
-98.9% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
-Pair    | 0.12547    | 0.13632    | 0.14796    |   2.6 | 16.72
-Bond    | 0.05547    | 0.06023    | 0.064582   |   1.7 |  7.39
-Neigh   | 0.28201    | 0.28972    | 0.298      |   1.1 | 35.53
-Comm    | 0.16858    | 0.19467    | 0.22096    |   4.3 | 23.88
-Output  | 0.0017931  | 0.0019639  | 0.0023253  |   0.5 |  0.24
-Modify  | 0.039718   | 0.040559   | 0.041364   |   0.4 |  4.97
-Other   |            | 0.09189    |            |       | 11.27
-
-Nlocal:    90.25 ave 91 max 90 min
-Histogram: 3 0 0 0 0 0 0 0 0 1
-Nghost:    195.25 ave 202 max 185 min
-Histogram: 1 0 0 0 0 1 0 0 1 1
-Neighs:    629.5 ave 731 max 543 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-
-Total # of neighbors = 2518
-Ave neighs/atom = 6.97507
-Ave special neighs/atom = 5.61773
-Neighbor list builds = 4874
-Dangerous builds = 0
-Total wall time: 0:00:00
--- a/examples/balance/log.15Feb16.balance.bond.slow.g++.1
+++ b/examples/balance/log.15Feb16.balance.bond.slow.g++.1
@ -1,524 +0,0 @@
-LAMMPS (15 Feb 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-
-# careful not to slam into wall too hard
-
-variable	v index 0.3
-variable	w index 0.08
-
-units		lj
-dimension       2
-atom_style	bond
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box bond/types 1 extra/bond/per/atom 6
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  1 by 1 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 0.3 $w 0 sum yes
-velocity        all set 0.3 0.08 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-bond_style      harmonic
-bond_coeff      1 10.0 1.2
-
-create_bonds    all all 1 1.0 1.5
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Added 1014 bonds, new total = 1014
-  6 = max # of 1-2 neighbors
-  30 = max # of 1-3 neighbors
-  180 = max # of 1-4 neighbors
-  36 = max # of special neighbors
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom (c_1%10)+1
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 200 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		40000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 6.31529 Mbytes
-Step Temp E_pair Press 10[3] 10 
-       0   0.57437856            0   0.26099453            1            1 
-     100   0.29756515            0   0.10149401            1            1 
-     200   0.35394813            0  0.075159099            1            1 
-     300   0.39245849            0  0.033002384            1            1 
-     400   0.34078347            0 -0.020825841            1            1 
-     500   0.35201095            0 -0.062637506            1            1 
-     600   0.34014717            0  -0.11122965            1            1 
-     700    0.3323524            0  -0.11598015            1            1 
-     800   0.35116047            0 -0.096162395            1            1 
-     900   0.35695352            0  -0.01385176            1            1 
-    1000   0.36986539            0  0.056772858            1            1 
-    1100   0.34584644            0  0.084941323            1            1 
-    1200   0.31921435            0   0.10545078            1            1 
-    1300   0.32952819            0     0.124902            1            1 
-    1400   0.34497365            0   0.12662081            1            1 
-    1500   0.33429243            0  0.096230972            1            1 
-    1600   0.33765387            0  0.025800542            1            1 
-    1700   0.35134464            0  -0.04422593            1            1 
-    1800   0.35003859            0 -0.096745576            1            1 
-    1900   0.33839618            0 -0.095465943            1            1 
-    2000   0.33732078            0 -0.094652802            1            1 
-    2100   0.34552238            0 -0.076729261            1            1 
-    2200   0.34893142            0 -0.036853228            1            1 
-    2300   0.35379341            0  0.021124847            1            1 
-    2400   0.34829744            0   0.09230184            1            1 
-    2500   0.33038141            0    0.1399855            1            1 
-    2600   0.30983019            0   0.12754742            1            1 
-    2700   0.32992561            0   0.10485138            1            1 
-    2800   0.34604747            0  0.066174138            1            1 
-    2900    0.3444791            0  0.036590652            1            1 
-    3000   0.34721342            0 -0.023793368            1            1 
-    3100   0.33404314            0  -0.08374223            1            1 
-    3200   0.33019355            0  -0.12715599            1            1 
-    3300   0.33515177            0  -0.12217394            1            1 
-    3400   0.33628481            0 -0.070877624            1            1 
-    3500   0.34257038            0 -0.021612062            1            1 
-    3600   0.32838009            0  0.030131228            1            1 
-    3700   0.34462142            0  0.074586378            1            1 
-    3800   0.30891825            0   0.10605673            1            1 
-    3900   0.33847951            0   0.13956139            1            1 
-    4000   0.32952079            0   0.12688129            1            1 
-    4100   0.32646772            0  0.081089042            1            1 
-    4200   0.35399503            0  0.013422873            1            1 
-    4300   0.33154914            0 -0.050919508            1            1 
-    4400   0.34113556            0    -0.083171            1            1 
-    4500   0.32651708            0   -0.1063133            1            1 
-    4600   0.34359609            0   -0.1076395            1            1 
-    4700   0.34973537            0 -0.088231606            1            1 
-    4800   0.35198515            0 -0.020901044            1            1 
-    4900   0.35187284            0  0.043645941            1            1 
-    5000   0.34887336            0  0.095698609            1            1 
-    5100   0.30308163            0   0.11649328            1            1 
-    5200   0.32401285            0   0.12072411            1            1 
-    5300   0.33025072            0   0.10933161            1            1 
-    5400   0.33288012            0  0.078356448            1            1 
-    5500   0.35142492            0  0.036958063            1            1 
-    5600   0.35125368            0 -0.041371343            1            1 
-    5700   0.34547744            0 -0.096450846            1            1 
-    5800   0.30939887            0  -0.12356656            1            1 
-    5900   0.32315628            0  -0.11338676            1            1 
-    6000   0.34117485            0 -0.066198961            1            1 
-    6100   0.35298043            0 -0.016172816            1            1 
-    6200   0.35130653            0  0.027660468            1            1 
-    6300   0.35398766            0  0.087221238            1            1 
-    6400   0.30963379            0   0.11990957            1            1 
-    6500    0.3174541            0   0.14103528            1            1 
-    6600   0.31989791            0   0.11575506            1            1 
-    6700   0.33811477            0  0.060747353            1            1 
-    6800    0.3424043            0  0.010357152            1            1 
-    6900   0.34804319            0 -0.042621786            1            1 
-    7000   0.35357865            0 -0.067248959            1            1 
-    7100   0.33556885            0  -0.10983726            1            1 
-    7200   0.33531101            0    -0.112179            1            1 
-    7300   0.35742607            0 -0.078405267            1            1 
-    7400   0.34577559            0  -0.01985432            1            1 
-    7500    0.3498641            0  0.052289439            1            1 
-    7600   0.33773715            0  0.092939035            1            1 
-    7700   0.33093497            0   0.11924405            1            1 
-    7800   0.31435814            0   0.12701724            1            1 
-    7900   0.33132217            0   0.10793075            1            1 
-    8000   0.33451798            0  0.077993125            1            1 
-    8100   0.35188371            0  0.019929977            1            1 
-    8200   0.33645742            0 -0.039302079            1            1 
-    8300    0.3415632            0 -0.098067982            1            1 
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-    8600   0.33761673            0  -0.07069818            1            1 
-    8700   0.34495452            0 -0.022458056            1            1 
-    8800   0.33502983            0  0.027742411            1            1 
-    8900   0.35418591            0  0.092390134            1            1 
-    9000   0.31648387            0   0.12467398            1            1 
-    9100   0.33994825            0   0.14460327            1            1 
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-    9900   0.33916442            0 -0.080281044            1            1 
-   10000   0.34852268            0  -0.01000914            1            1 
-   10100   0.32955942            0   0.04258493            1            1 
-   10200   0.34487898            0  0.086971308            1            1 
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-   16800   0.33277414            0   0.11053634            1            1 
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-   18100    0.3466445            0    0.1351712            1            1 
-   18200   0.33037668            0   0.12703659            1            1 
-   18300   0.33677404            0   0.10956306            1            1 
-   18400   0.34978954            0  0.087193072            1            1 
-   18500   0.33354363            0  0.051095814            1            1 
-   18600   0.34651729            0 0.0056245561            1            1 
-   18700   0.32622232            0 -0.047319269            1            1 
-   18800   0.32978847            0 -0.054929416            1            1 
-   18900   0.34192451            0 -0.037252471            1            1 
-   19000   0.34061294            0 -0.001167235            1            1 
-   19100   0.34194478            0  0.016945224            1            1 
-   19200   0.33321765            0  0.050665354            1            1 
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-   19400   0.33284715            0   0.12423599            1            1 
-   19500   0.33867856            0   0.12689524            1            1 
-   19600   0.36092786            0   0.11417704            1            1 
-   19700   0.34270183            0  0.069038291            1            1 
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-   22500   0.34174625            0 -0.025019717            1            1 
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-   22700    0.3362653            0 -0.035815733            1            1 
-   22800   0.33973405            0 -0.0024705835            1            1 
-   22900   0.33813085            0 0.0077527467            1            1 
-   23000   0.33339981            0  0.028340744            1            1 
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-   23200   0.33074548            0  0.032378405            1            1 
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-   23400   0.30927749            0  0.024581106            1            1 
-   23500   0.32890632            0   0.01092479            1            1 
-   23600   0.34137438            0 0.0094839745            1            1 
-   23700   0.34512638            0 -0.012392771            1            1 
-   23800   0.31781354            0 -0.012908449            1            1 
-   23900   0.32405513            0 -0.015018071            1            1 
-   24000   0.33549728            0 -0.012812915            1            1 
-   24100   0.31368736            0 -0.020818372            1            1 
-   24200   0.33533836            0 0.0056121057            1            1 
-   24300   0.32530627            0  0.018183931            1            1 
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-   25000   0.35120105            0 0.0038617562            1            1 
-   25100   0.32706871            0 -0.021196623            1            1 
-   25200   0.32915282            0 -0.017146508            1            1 
-   25300   0.32577518            0  -0.01312495            1            1 
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-   25500   0.33002601            0 0.0080974022            1            1 
-   25600   0.34127655            0  0.014296091            1            1 
-   25700   0.34048065            0  0.022513032            1            1 
-   25800   0.33029079            0  0.038733531            1            1 
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-   27500   0.33115619            0 0.0025776713            1            1 
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-   27700   0.32968876            0 -0.0064595905            1            1 
-   27800   0.34064581            0 -0.0086519116            1            1 
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-   28000   0.32300727            0 -0.0004153384            1            1 
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-   28600   0.33708059            0  0.019115676            1            1 
-   28700   0.34478087            0  0.023743689            1            1 
-   28800   0.34546686            0 0.0081772997            1            1 
-   28900   0.34004886            0  0.017771865            1            1 
-   29000   0.33604232            0 -0.010505671            1            1 
-   29100   0.33541374            0 -0.016273261            1            1 
-   29200   0.34347489            0 -0.010002306            1            1 
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-   29400   0.34846892            0  0.020765104            1            1 
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-   29600   0.33725496            0  0.020693083            1            1 
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-   29900   0.33014448            0   0.03114046            1            1 
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-   30100   0.32598657            0 -0.0018860541            1            1 
-   30200   0.34855815            0 0.0017983372            1            1 
-   30300   0.33375921            0 0.0010991235            1            1 
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-   30500   0.33279729            0 -0.0035788551            1            1 
-   30600   0.33868746            0 -0.0016249482            1            1 
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-   31500   0.33089262            0 0.0060426618            1            1 
-   31600   0.34273493            0 -0.013456537            1            1 
-   31700   0.32723905            0 -0.019243766            1            1 
-   31800   0.33636488            0 0.0027814902            1            1 
-   31900   0.32834805            0   0.00706877            1            1 
-   32000   0.33995148            0 0.0018383309            1            1 
-   32100   0.33412282            0 0.0076455933            1            1 
-   32200   0.34334884            0  0.023586129            1            1 
-   32300   0.32778925            0  0.020564321            1            1 
-   32400   0.33163443            0  0.038878463            1            1 
-   32500   0.32290345            0  0.022247461            1            1 
-   32600   0.34113954            0  0.010966365            1            1 
-   32700   0.33390633            0 0.0037777555            1            1 
-   32800   0.34385341            0  0.010556575            1            1 
-   32900   0.32137047            0 0.00022027143            1            1 
-   33000   0.32079172            0 -0.017261272            1            1 
-   33100   0.33570882            0 -0.0051942206            1            1 
-   33200   0.34320894            0 -0.011515281            1            1 
-   33300   0.32794746            0 -0.0018153673            1            1 
-   33400   0.33060982            0  0.027118146            1            1 
-   33500   0.33641809            0   0.02143035            1            1 
-   33600   0.33643061            0  0.020833068            1            1 
-   33700    0.3485949            0  0.030918751            1            1 
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-   33900   0.31959761            0  0.021128147            1            1 
-   34000   0.33897984            0  0.015270986            1            1 
-   34100   0.32392267            0 0.0020130852            1            1 
-   34200   0.33084514            0 -0.024316708            1            1 
-   34300    0.3342259            0 -0.0059047764            1            1 
-   34400   0.33385098            0 0.0063818721            1            1 
-   34500   0.33255603            0  -0.01023837            1            1 
-   34600   0.34766173            0 0.0056703013            1            1 
-   34700     0.339822            0 0.0061648559            1            1 
-   34800   0.33902329            0  0.030037037            1            1 
-   34900    0.3216153            0  0.027996689            1            1 
-   35000   0.32701056            0  0.024778517            1            1 
-   35100    0.3124942            0  0.011316548            1            1 
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-   35300   0.33275353            0  0.020491246            1            1 
-   35400   0.33618763            0  0.014678874            1            1 
-   35500   0.32352282            0 -0.018568683            1            1 
-   35600   0.32617903            0 -0.012796912            1            1 
-   35700   0.32378048            0 -0.021318585            1            1 
-   35800    0.3371086            0 -0.0023678632            1            1 
-   35900   0.33818476            0  0.011197742            1            1 
-   36000   0.35142144            0  0.022520935            1            1 
-   36100   0.35147297            0  0.020277852            1            1 
-   36200   0.33489465            0  0.014564878            1            1 
-   36300   0.33841515            0  0.036439962            1            1 
-   36400   0.32301096            0  0.019966746            1            1 
-   36500   0.35612028            0  0.036509556            1            1 
-   36600   0.33841597            0 -0.0042180605            1            1 
-   36700   0.34477654            0 -0.0052770853            1            1 
-   36800   0.33804317            0 -0.013751733            1            1 
-   36900   0.35003816            0 -0.0021184393            1            1 
-   37000   0.32965041            0 -0.020900951            1            1 
-   37100   0.34653095            0 -0.013667977            1            1 
-   37200   0.35019871            0 -0.0071740923            1            1 
-   37300   0.34859745            0   0.02006041            1            1 
-   37400   0.35739859            0  0.020892822            1            1 
-   37500   0.34128859            0  0.041072111            1            1 
-   37600   0.33781905            0  0.023376738            1            1 
-   37700   0.32961874            0  0.030953741            1            1 
-   37800     0.343987            0  0.029579795            1            1 
-   37900   0.33610448            0  0.036836828            1            1 
-   38000   0.32757228            0  0.020902031            1            1 
-   38100   0.32735808            0  0.019544751            1            1 
-   38200   0.35646953            0  0.044607528            1            1 
-   38300   0.32509773            0   0.03610738            1            1 
-   38400   0.32111741            0  0.034474043            1            1 
-   38500   0.30590608            0  0.053461212            1            1 
-   38600   0.32322402            0  0.053453832            1            1 
-   38700   0.33843057            0  0.076264534            1            1 
-   38800   0.31350741            0  0.064733869            1            1 
-   38900   0.31943061            0  0.067836769            1            1 
-   39000   0.33775583            0    0.0788316            1            1 
-   39100   0.34256036            0  0.075874935            1            1 
-   39200   0.33128527            0  0.071610976            1            1 
-   39300   0.34519653            0  0.046257301            1            1 
-   39400   0.34351844            0  0.052422917            1            1 
-   39500   0.35716037            0  0.048916058            1            1 
-   39600   0.34000737            0  0.016149089            1            1 
-   39700   0.34587892            0  0.021619621            1            1 
-   39800   0.34878036            0 0.0092881327            1            1 
-   39900   0.35225411            0 -0.011341599            1            1 
-   40000   0.36309266            0 0.0050869295            1            1 
-Loop time of 1.94553 on 1 procs for 40000 steps with 361 atoms
-
-Performance: 8881898.790 tau/day, 20559.951 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
-Pair    | 0.068658   | 0.068658   | 0.068658   |   0.0 |  3.53
-Bond    | 0.9979     | 0.9979     | 0.9979     |   0.0 | 51.29
-Neigh   | 0.50428    | 0.50428    | 0.50428    |   0.0 | 25.92
-Comm    | 0.015341   | 0.015341   | 0.015341   |   0.0 |  0.79
-Output  | 0.0029466  | 0.0029466  | 0.0029466  |   0.0 |  0.15
-Modify  | 0.28324    | 0.28324    | 0.28324    |   0.0 | 14.56
-Other   |            | 0.07317    |            |       |  3.76
-
-Nlocal:    361 ave 361 max 361 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 0
-Ave neighs/atom = 0
-Ave special neighs/atom = 31.0249
-Neighbor list builds = 3079
-Dangerous builds = 0
-Total wall time: 0:00:01
--- a/examples/balance/log.15Feb16.balance.g++.1
+++ b/examples/balance/log.15Feb16.balance.g++.1
@ -1,202 +0,0 @@
-LAMMPS (15 Feb 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-variable	v index 5
-variable	w index 2
-
-units		lj
-dimension       2
-atom_style	atomic
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  1 by 1 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 5 $w 0 sum yes
-velocity        all set 5 2 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom c_1%10
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		10000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 2.47688 Mbytes
-Step Temp E_pair Press 10[3] 10 
-       0    25.701528   -29.143179   -1.2407285            1            1 
-     100    26.269576   -29.713313    7.9052334            1            1 
-     200    26.368336   -29.809962    1.6412462            1            1 
-     300    26.479082   -29.920083    2.3678653            1            1 
-     400    26.522239   -29.965537    6.6787858            1            1 
-     500    25.725591   -29.168034   0.67065285            1            1 
-     600    26.247693   -29.692706    7.9887712            1            1 
-     700    26.237368   -29.676926    1.5987214            1            1 
-     800    25.889643   -29.431589    4.6160859            1            1 
-     900    23.635295   -27.372963     9.029962            1            1 
-    1000    22.571904    -25.87422    1.8936085            1            1 
-    1100    17.493795   -21.447274     9.502619            1            1 
-    1200    17.214459   -20.726964    6.3578933            1            1 
-    1300    16.424366    -19.75746    3.9025348            1            1 
-    1400     15.09282   -18.172384    1.7966088            1            1 
-    1500    13.669129   -16.736191    1.3320876            1            1 
-    1600    13.518191   -16.481254    2.2474968            1            1 
-    1700    13.840191   -16.808798     1.848689            1            1 
-    1800    12.705797   -15.654395    2.6658475            1            1 
-    1900    12.560112   -15.376796    1.6651246            1            1 
-    2000     12.11219   -14.943991    1.2347207            1            1 
-    2100    11.681161   -14.453803    1.1856253            1            1 
-    2200    11.380134    -14.15437    1.0983288            1            1 
-    2300    11.404137   -14.206989    1.0886428            1            1 
-    2400    11.267361    -14.00915    1.1353313            1            1 
-    2500    11.086288   -13.866685    1.5189761            1            1 
-    2600    11.241757   -14.031809    1.6088858            1            1 
-    2700    10.741715   -13.522752    1.2648051            1            1 
-    2800    10.594219   -13.461001    1.2068865            1            1 
-    2900    10.497917   -13.243311   0.90549881            1            1 
-    3000    9.8887944   -12.633322    1.2014467            1            1 
-    3100    10.046064   -12.757462   0.72911664            1            1 
-    3200    9.8202521   -12.544235   0.85793687            1            1 
-    3300    9.9932983   -12.729524    1.3692879            1            1 
-    3400    9.4389164   -12.132571   0.83559817            1            1 
-    3500    9.4456791   -12.154808    1.2415677            1            1 
-    3600    9.4291752    -12.13391    1.1892815            1            1 
-    3700    9.2656145   -11.994284   0.93597208            1            1 
-    3800    9.6833674   -12.407022    1.4696321            1            1 
-    3900    9.2075262   -11.996657    1.0201833            1            1 
-    4000     8.704708   -11.395839    1.5366945            1            1 
-    4100     8.496226   -11.160512   0.98385093            1            1 
-    4200    8.5566638   -11.241219   0.84428298            1            1 
-    4300    8.3079987   -10.963542   0.96552044            1            1 
-    4400    8.0878014   -10.695296    0.9598929            1            1 
-    4500    7.8974753   -10.510996   0.67253552            1            1 
-    4600    7.9008492   -10.511956   0.80200878            1            1 
-    4700    7.8469401    -10.46341   0.91408186            1            1 
-    4800    7.8237062   -10.478701   0.80709563            1            1 
-    4900    7.9248576   -10.569715   0.93955604            1            1 
-    5000    7.8285795   -10.450559   0.72760696            1            1 
-    5100    7.8176003   -10.433727    1.0046395            1            1 
-    5200     7.930586   -10.543139    1.1883254            1            1 
-    5300    7.4014327   -10.200353    1.2717149            1            1 
-    5400    7.3398704   -9.9377313    0.8277383            1            1 
-    5500    7.9323894   -10.544566   0.58409181            1            1 
-    5600    7.8256391   -10.452111    0.8371735            1            1 
-    5700    7.5744223   -10.225985   0.56633204            1            1 
-    5800    7.5149231   -10.128901    0.8877957            1            1 
-    5900    7.2696456    -9.868796    1.0183026            1            1 
-    6000     8.172964     -10.8046   0.82048799            1            1 
-    6100     7.569911   -10.224271   0.85335085            1            1 
-    6200    7.5498129   -10.158173   0.69550695            1            1 
-    6300    7.0906227    -9.664124   0.38267058            1            1 
-    6400    6.9720876    -9.556043   0.74772365            1            1 
-    6500    7.2708269   -9.8393843   0.87493485            1            1 
-    6600    7.0968522   -9.7557969   0.66499003            1            1 
-    6700    7.1122649   -9.7305659    1.3152794            1            1 
-    6800    6.9990684   -9.5808587   0.25569509            1            1 
-    6900    7.2436468   -9.8205382   0.94441711            1            1 
-    7000    7.0592104   -9.6306985   0.62683684            1            1 
-    7100    6.7457928   -9.3199995   0.92851433            1            1 
-    7200    7.0005278    -9.645515   0.79975493            1            1 
-    7300    7.0106928   -9.5922649   0.78131757            1            1 
-    7400    6.9425198   -9.5718261    0.3016744            1            1 
-    7500    7.4193009   -9.9953487   0.55537513            1            1 
-    7600    7.1870399   -9.7798145   0.94155142            1            1 
-    7700    6.8261504   -9.3693292   0.78601298            1            1 
-    7800    6.8794916   -9.4362689    0.9335562            1            1 
-    7900    7.0068635   -9.5490666   0.53210657            1            1 
-    8000     6.641609    -9.181226   0.80726821            1            1 
-    8100    6.9290677   -9.4788963    1.1195905            1            1 
-    8200    6.6497084    -9.197688   0.45616164            1            1 
-    8300    6.6000864    -9.207368   0.46307403            1            1 
-    8400    6.7434835   -9.3226196   0.78570419            1            1 
-    8500    7.0766248   -9.5981608   0.48778261            1            1 
-    8600    6.8206587   -9.3646115   0.76420951            1            1 
-    8700    7.2009315   -9.7629817   0.69026433            1            1 
-    8800    7.0581986    -9.636327   0.54467209            1            1 
-    8900    7.2337543   -9.8210795   0.61604427            1            1 
-    9000    6.7053026   -9.2552306   0.24196123            1            1 
-    9100    6.7919694   -9.3561383   0.34320213            1            1 
-    9200    6.8518231   -9.4142511   0.73735875            1            1 
-    9300    6.5891178   -9.1414615   0.45262773            1            1 
-    9400    6.4724853   -9.0217877   0.54837629            1            1 
-    9500    6.3569528   -8.9201793   0.19617724            1            1 
-    9600    6.3765498    -8.947548   0.85408461            1            1 
-    9700    6.5652079   -9.1101844   0.74478711            1            1 
-    9800    6.5099709   -9.0677449   0.69826809            1            1 
-    9900    6.1773299   -8.7085595   0.69981004            1            1 
-   10000    6.3999463   -8.9423632   0.42668066            1            1 
-Loop time of 0.675636 on 1 procs for 10000 steps with 361 atoms
-
-Performance: 6393974.952 tau/day, 14800.868 timesteps/s
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
-Pair    | 0.29845    | 0.29845    | 0.29845    |   0.0 | 44.17
-Neigh   | 0.26869    | 0.26869    | 0.26869    |   0.0 | 39.77
-Comm    | 0.006007   | 0.006007   | 0.006007   |   0.0 |  0.89
-Output  | 0.00076938 | 0.00076938 | 0.00076938 |   0.0 |  0.11
-Modify  | 0.077204   | 0.077204   | 0.077204   |   0.0 | 11.43
-Other   |            | 0.02452    |            |       |  3.63
-
-Nlocal:    361 ave 361 max 361 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    1191 ave 1191 max 1191 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 1191
-Ave neighs/atom = 3.29917
-Neighbor list builds = 3609
-Dangerous builds = 0
-Total wall time: 0:00:00
--- a/examples/balance/log.15Feb16.balance.g++.4
+++ b/examples/balance/log.15Feb16.balance.g++.4
@ -1,202 +0,0 @@
-LAMMPS (15 Feb 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-variable	v index 5
-variable	w index 2
-
-units		lj
-dimension       2
-atom_style	atomic
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  2 by 2 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 5 $w 0 sum yes
-velocity        all set 5 2 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom c_1%10
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		10000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 2.48839 Mbytes
-Step Temp E_pair Press 10[3] 10 
-       0    25.701528   -29.143179   -1.2407285    3.2354571    1.0526316 
-     100    26.269576   -29.713313    7.9052334    1.2742382    1.0304709 
-     200    26.368336   -29.809962    1.6412462    1.2520776    1.0083102 
-     300    26.479082   -29.920083    2.3678653    1.2299169    1.0193906 
-     400    26.522239   -29.965537    6.6787858    1.1855956    1.0083102 
-     500    25.725591   -29.168034   0.67065285    1.2520776    1.0083102 
-     600    26.247693   -29.692706    7.9887712    1.3074792    1.0083102 
-     700    26.237368   -29.676926    1.5987214    1.2409972    1.0083102 
-     800    25.889643   -29.431589    4.6160859    1.2631579    1.0083102 
-     900    23.635295   -27.372963     9.029962    1.1634349    1.0083102 
-    1000    22.571904    -25.87422    1.8936085    1.1301939    1.0193906 
-    1100    17.493795   -21.447274     9.502619    1.0858726    1.0193906 
-    1200    17.214459   -20.726965    6.3578917    1.0304709    1.0193906 
-    1300    16.424154   -19.757386    3.9027133    1.1191136    1.0083102 
-    1400     15.04233   -18.126227    1.7539398    1.0858726    1.0193906 
-    1500    13.749022   -16.839766    1.4654778    1.0747922    1.0083102 
-    1600    13.888812   -16.855703    1.8972035    1.0858726    1.0304709 
-    1700    13.647879   -16.652436    1.5110481    1.0526316    1.0304709 
-    1800     12.61308   -15.580445    2.1861667    1.0083102    1.0083102 
-    1900    12.700272   -15.594505    1.6395684    1.0304709    1.0083102 
-    2000    12.204319    -15.16754    1.6302417    1.1080332    1.0083102 
-    2100    11.921129   -14.774621    1.4311256    1.0858726    1.0083102 
-    2200    11.959274   -14.797326    1.4920985    1.0415512    1.0083102 
-    2300    11.633606   -14.455284    1.4447243    1.1412742    1.0193906 
-    2400    12.180014   -14.719121    1.4582702    1.0304709    1.0083102 
-    2500    11.779995   -14.293633    1.2961686    1.0304709    1.0083102 
-    2600     11.86013   -14.272853    1.1970414    1.0415512    1.0193906 
-    2700    11.360658   -13.772549     1.192957    1.0526316    1.0083102 
-    2800    11.045632   -13.438591    1.2007074    1.0083102    1.0193906 
-    2900    10.689472   -13.127138   0.94544611    1.0193906    1.0193906 
-    3000    10.445298   -12.809325    1.3035047    1.0304709    1.0193906 
-    3100     10.22325   -12.599858    1.7838342    1.0304709    1.0083102 
-    3200    10.226845   -12.602391   0.91456469    1.0304709    1.0193906 
-    3300    9.8906692   -12.204654    1.4538962    1.0415512    1.0193906 
-    3400    9.0246858   -11.627057    1.1929498    1.0304709    1.0193906 
-    3500    9.4549317   -11.747347   0.92966653    1.0193906    1.0193906 
-    3600    9.2467281   -11.534358   0.94959796    1.0415512    1.0083102 
-    3700    9.1099307   -11.381318    1.2963887    1.0193906    1.0083102 
-    3800    9.2236074   -11.483205    1.3510186    1.1080332    1.0193906 
-    3900    8.6105519   -10.877844    1.3591509    1.0304709    1.0083102 
-    4000     8.588698   -10.846126   0.76473884    1.0415512    1.0083102 
-    4100    8.5960453   -10.831229   0.93758423    1.0747922    1.0193906 
-    4200    8.1049344   -10.436054   0.74947412    1.0526316    1.0083102 
-    4300    8.2606129   -10.471049   0.64465155    1.0193906    1.0193906 
-    4400    8.0777962   -10.288476    1.1145052    1.0193906    1.0083102 
-    4500    7.9202904    -10.10427   0.49016698    1.0304709    1.0083102 
-    4600    8.2366755   -10.434942   0.65930769    1.0193906    1.0083102 
-    4700    7.9313531    -10.13685     1.097861    1.0304709    1.0083102 
-    4800    7.8637296   -10.085957   0.56015483    1.0304709    1.0193906 
-    4900    7.3410322   -9.5357686   0.89340163    1.0304709    1.0193906 
-    5000    7.6647481   -9.8529515    0.8283225    1.0193906    1.0193906 
-    5100    7.4114006   -9.5917802   0.64812231    1.0083102    1.0193906 
-    5200    7.6261959   -9.8178843   0.90517452    1.0193906    1.0083102 
-    5300    7.6501619   -9.8428477     1.028077    1.0304709    1.0083102 
-    5400    7.4694373   -9.6434672   0.38259983    1.0193906    1.0083102 
-    5500    7.3111918   -9.4803007   0.47921149    1.0193906    1.0193906 
-    5600    7.2132446   -9.3694039   0.71282856    1.0193906    1.0083102 
-    5700    6.8349744   -9.0018958   0.85688618    1.0193906    1.0083102 
-    5800    7.1978042   -9.3667457   0.61717818    1.0304709    1.0193906 
-    5900    7.1441033   -9.3263118   0.32840394    1.0193906    1.0083102 
-    6000    7.0943691   -9.2621241    1.3099316    1.0083102    1.0083102 
-    6100    6.9547586   -9.1026607   0.44492974    1.0193906    1.0083102 
-    6200    7.0932682   -9.2934579   0.93444691    1.0415512    1.0083102 
-    6300    7.0536275   -9.2562193   0.57578551    1.0193906    1.0193906 
-    6400    6.8839921   -9.0513091   0.65690774    1.0193906    1.0083102 
-    6500    6.7618431   -8.9037814    0.6011838    1.0304709    1.0193906 
-    6600    6.6600729   -8.7979286   0.73495903    1.0193906    1.0193906 
-    6700    6.6544136   -8.8089155   0.41206297    1.0304709    1.0193906 
-    6800    6.7935502   -8.9405122     1.022055    1.0193906    1.0083102 
-    6900    6.6603594   -8.8085894    0.4271189    1.0526316    1.0193906 
-    7000    6.4894888   -8.6794785   0.64389173    1.0526316    1.0193906 
-    7100    6.6252776    -8.776746    1.3915989    1.0193906    1.0193906 
-    7200    6.6680717   -8.8468379   0.60275261    1.0193906    1.0193906 
-    7300     6.697874   -8.8458161   0.50887488    1.0637119    1.0083102 
-    7400    6.2112277    -8.340139   0.45211042    1.0415512    1.0193906 
-    7500    6.4923853   -8.6255862   0.79982162    1.0083102    1.0193906 
-    7600    6.2922271   -8.4027197   0.33603817    1.0304709    1.0083102 
-    7700    6.5744688   -8.7079756   0.51620003    1.0415512    1.0083102 
-    7800    6.6730316   -8.8278613    1.2334484    1.0304709    1.0083102 
-    7900    6.3831791   -8.4878853   0.49555781    1.0415512    1.0193906 
-    8000     6.690559   -8.7918607   0.88102021    1.0415512    1.0083102 
-    8100    6.5390375   -8.6612074   0.45605815    1.0304709    1.0193906 
-    8200    6.6957638   -8.8406262   0.45001955    1.0193906    1.0083102 
-    8300    6.8684401   -9.0293678   0.64215355    1.0083102    1.0083102 
-    8400    6.4416293   -8.5841829   0.53513285    1.0193906    1.0193906 
-    8500    6.6854101   -8.8269391   0.81750487    1.0637119    1.0083102 
-    8600     6.588469   -8.7315753   0.33201251    1.0083102    1.0083102 
-    8700    6.2974312   -8.4104697   0.57054382    1.0083102    1.0083102 
-    8800    6.4691853   -8.5985479   0.95554418    1.0415512    1.0083102 
-    8900    6.7437807   -8.8949865   0.69067866    1.0415512    1.0083102 
-    9000    6.5681473   -8.6984555   0.88464065    1.0193906    1.0083102 
-    9100    6.6158471   -8.7398687   0.72347757    1.0193906    1.0083102 
-    9200    6.4521137   -8.6048511   0.75093363    1.0193906    1.0193906 
-    9300    6.4179685   -8.5582051    1.0072192    1.0083102    1.0083102 
-    9400     6.580258   -8.7234535   0.56842466    1.0193906    1.0193906 
-    9500    6.4125418     -8.56348   0.36394135    1.0304709    1.0193906 
-    9600    6.6723409   -8.8402798   0.56711277    1.0304709    1.0193906 
-    9700    6.4522736    -8.594767   0.43495668    1.0193906    1.0083102 
-    9800    6.2127437   -8.3329761   0.68977311    1.0304709    1.0193906 
-    9900    6.4360513   -8.5839262    1.1702062    1.0304709    1.0193906 
-   10000    6.3393653   -8.4396274   0.46277884    1.0304709    1.0193906 
-Loop time of 0.389322 on 4 procs for 10000 steps with 361 atoms
-
-Performance: 11096205.412 tau/day, 25685.661 timesteps/s
-98.7% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
-Pair    | 0.061902   | 0.074659   | 0.098288   |   5.1 | 19.18
-Neigh   | 0.061993   | 0.067136   | 0.078793   |   2.6 | 17.24
-Comm    | 0.10335    | 0.13334    | 0.15511    |   5.6 | 34.25
-Output  | 0.0017662  | 0.0020409  | 0.0027893  |   1.0 |  0.52
-Modify  | 0.037374   | 0.038055   | 0.038669   |   0.2 |  9.77
-Other   |            | 0.07409    |            |       | 19.03
-
-Nlocal:    90.25 ave 92 max 88 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
-Nghost:    36 ave 38 max 34 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Neighs:    276.75 ave 448 max 153 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-
-Total # of neighbors = 1107
-Ave neighs/atom = 3.06648
-Neighbor list builds = 3472
-Dangerous builds = 0
-Total wall time: 0:00:00
--- a/examples/balance/log.27Sep16.balance.bond.fast.g++.4
+++ b/examples/balance/log.27Sep16.balance.bond.fast.g++.4
@ -0,0 +1,225 @@
+LAMMPS (26 Sep 2016)
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	bond
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box bond/types 1 extra/bond/per/atom 6
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 2 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+bond_style      harmonic
+bond_coeff      1 10.0 1.2
+
+# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
+
+special_bonds   lj/coul 0 1 1
+  0 = max # of 1-2 neighbors
+  1 = max # of special neighbors
+create_bonds    all all 1 1.0 1.5
+Neighbor list info ...
+  2 neighbor list requests
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4 -> bins = 42 29 1
+Added 1014 bonds, new total = 1014
+  6 = max # of 1-2 neighbors
+  6 = max # of special neighbors
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+comm_modify     cutoff 7.5
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom (c_1%10)+1
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		10000
+Neighbor list info ...
+  1 neighbor list requests
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 7.5
+  binsize = 1.4 -> bins = 42 29 1
+Memory usage per processor = 4.49421 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -2.2032569    3.1039469    3.2354571    1.0526316 
+     100    27.623422    -6.228166    2.6542136    1.2631579    1.0083102 
+     200     33.35302   -15.746749    3.2018248    1.2963989    1.0193906 
+     300     39.17734     -24.1557    4.9116986    1.2963989    1.0193906 
+     400    41.660701   -27.615203    8.6214679    1.3518006    1.0083102 
+     500    37.154928   -24.096947    3.2656178    1.3296399    1.0193906 
+     600    35.059889   -21.524278    2.3728491    1.3296399    1.0083102 
+     700     36.70511   -21.983922     3.299538    1.3296399    1.0083102 
+     800     39.54394   -25.667546    4.3058382    1.3961219    1.0083102 
+     900    37.868974   -24.379807    5.3176538    1.3518006    1.0083102 
+    1000    36.721328   -23.341363    5.8700266    1.3407202    1.0083102 
+    1100    35.646239     -23.3255    3.3762843    1.1855956    1.0083102 
+    1200    31.452912   -20.792985    5.4901357    1.1966759    1.0083102 
+    1300    32.276549   -21.245929    6.4153084    1.2077562    1.0193906 
+    1400    29.452751   -20.724401     2.174752    1.1855956    1.0083102 
+    1500    28.014757   -18.893532    1.7482766    1.1634349    1.0083102 
+    1600    26.222645    -16.78953   0.93944237    1.1966759    1.0304709 
+    1700    25.711888   -15.792639   0.20021405    1.0969529    1.0083102 
+    1800    24.412639   -13.217606    0.7091708    1.1966759    1.0083102 
+    1900    25.644324   -13.020594    1.3661224    1.1412742    1.0083102 
+    2000    24.556667   -13.580087   0.80121134    1.0637119    1.0083102 
+    2100     25.23657   -13.560862    1.2349706    1.1191136    1.0193906 
+    2200    26.456985   -13.804729      1.27046    1.1412742    1.0193906 
+    2300    26.416685   -13.212452    1.4096744    1.1412742    1.0083102 
+    2400    25.472914   -12.472527    1.5408641    1.1412742    1.0083102 
+    2500    25.216305   -12.597474   0.84328282    1.1412742    1.0083102 
+    2600    24.107024   -12.455199    1.5587978    1.2409972    1.0193906 
+    2700    26.840175   -15.533209    1.2944973    1.1745152    1.0083102 
+    2800    26.149759    -14.83948    4.0371126    1.0747922    1.0083102 
+    2900    24.651151   -14.934342    2.7634302    1.0747922    1.0193906 
+    3000    21.873123   -13.366381  -0.18605935    1.1301939    1.0083102 
+    3100    19.974658   -10.620844  -0.16366371    1.0637119    1.0193906 
+    3200    20.926558   -10.336663  -0.73116364    1.1080332    1.0083102 
+    3300    20.473772   -10.588752  -0.66017168    1.0858726    1.0304709 
+    3400    22.476649    -11.87982    1.0141731    1.0747922    1.0083102 
+    3500     24.02361   -12.532787    1.4116935    1.1191136    1.0083102 
+    3600    22.922792   -12.328391  -0.27783338    1.0969529    1.0083102 
+    3700    21.772971   -10.716922   0.95739835    1.1523546    1.0083102 
+    3800    21.597174   -10.839031   0.67958603    1.1191136    1.0193906 
+    3900    21.883448   -11.258422  -0.40592732    1.0637119    1.0193906 
+    4000    22.815486   -10.891868    1.6123322    1.1301939    1.0193906 
+    4100    23.276599   -11.400134   0.65653972    1.0415512    1.0193906 
+    4200    22.543441   -11.530245  0.074132899    1.1523546    1.0193906 
+    4300    22.863379   -10.809451   0.27552824    1.1412742    1.0193906 
+    4400    22.475073   -11.125735    1.7708547    1.1191136    1.0193906 
+    4500    23.500125   -11.680919   0.91347563    1.0858726    1.0083102 
+    4600      21.1812   -11.767353  0.095659263    1.1191136    1.0193906 
+    4700    22.950759   -12.108158  0.083009642    1.1966759    1.0083102 
+    4800     22.12306   -11.455893   0.47932308    1.1080332    1.0083102 
+    4900    23.297573   -11.823246   0.93733479    1.0969529    1.0083102 
+    5000     22.98743   -12.014836   0.36186604    1.1080332    1.0083102 
+    5100    23.081456    -11.54226   0.73473004    1.0747922    1.0193906 
+    5200    20.980311   -11.493036  -0.71555187    1.0637119    1.0193906 
+    5300    21.468406    -11.18497   0.54579843    1.0304709    1.0193906 
+    5400     22.75839   -10.856825   0.94407228    1.1191136    1.0083102 
+    5500    22.705652   -12.112469    0.4753399    1.1412742    1.0083102 
+    5600    22.391177   -12.530712    1.0180383    1.1412742    1.0083102 
+    5700    21.832834   -11.368512   0.88281166    1.0415512    1.0083102 
+    5800    22.850002   -11.948876  -0.46874747    1.0747922    1.0083102 
+    5900    21.135991   -12.358431  -0.48932559    1.0526316    1.0193906 
+    6000    22.071115   -11.433484   0.49653696    1.0747922    1.0304709 
+    6100     21.91427   -11.458553 -0.030708226    1.0637119    1.0193906 
+    6200    24.173206   -13.110269  -0.13661363    1.1412742    1.0083102 
+    6300    22.204413   -11.373556    1.6254012    1.0747922    1.0304709 
+    6400    23.259022   -11.634614    1.4472592    1.1412742    1.0193906 
+    6500    22.185287   -11.606998   0.66488201    1.0415512    1.0083102 
+    6600    21.329653   -10.989853   0.31700842    1.1301939    1.0083102 
+    6700    21.903749   -10.335477    1.3749575    1.0637119    1.0083102 
+    6800    21.188714   -10.545014    1.3448408    1.0415512    1.0083102 
+    6900    22.683005   -11.254371    0.5048545    1.1523546    1.0193906 
+    7000    21.224439   -9.7325551   0.71666112    1.0637119    1.0083102 
+    7100    21.712624   -10.594397    0.3657261    1.0858726    1.0193906 
+    7200    22.115857   -10.479237   0.95528164    1.0969529    1.0193906 
+    7300    22.075732      -11.255  -0.35340754    1.0526316    1.0193906 
+    7400    21.659767   -10.238454 -0.063639729    1.1523546    1.0083102 
+    7500    21.966354   -10.654264   0.36298903    1.0747922    1.0083102 
+    7600    21.541195   -11.151416   0.96453416    1.1080332    1.0193906 
+    7700    23.517228   -12.266781   0.49603585    1.1523546    1.0193906 
+    7800    21.665911   -11.832323   0.47104209    1.1080332    1.0083102 
+    7900    23.469372   -12.358423    -0.757413    1.0747922    1.0193906 
+    8000    21.699467   -11.462824  -0.73009236    1.0415512    1.0083102 
+    8100    21.583783    -10.21474   0.98837038    1.0969529    1.0193906 
+    8200    21.804998   -10.916922  -0.53268178    1.0858726    1.0083102 
+    8300    21.291145   -10.875356   0.81277146    1.0858726    1.0193906 
+    8400    21.939964   -10.726547   0.95830844    1.0415512    1.0193906 
+    8500    23.600157   -11.041255  -0.14583876    1.0747922    1.0083102 
+    8600     22.37787   -10.946852    1.0360646    1.0415512    1.0083102 
+    8700    23.591205   -11.524803    1.1877377    1.0526316    1.0304709 
+    8800    22.567007     -11.4629    0.4360461    1.0526316    1.0083102 
+    8900     22.11289   -11.772849 -0.019132631    1.0304709    1.0193906 
+    9000    22.814946   -11.705633   0.59029789    1.0747922    1.0083102 
+    9100     22.58487   -11.431283    0.9884223    1.1634349    1.0083102 
+    9200    23.283939   -11.825534   0.68358625    1.0637119    1.0083102 
+    9300    23.292444   -11.365494   0.78631005    1.0526316    1.0083102 
+    9400    21.748634    -10.16176   0.59185916    1.0969529    1.0083102 
+    9500    21.644797    -10.00944    1.1450108    1.0637119    1.0304709 
+    9600     23.01957   -10.683211    1.5735291    1.0637119    1.0193906 
+    9700    21.207989   -10.344668   0.34401867    1.0969529    1.0083102 
+    9800    22.035363   -10.849581  -0.14118639    1.0304709    1.0083102 
+    9900    21.839653   -10.008407   0.96570633    1.0526316    1.0193906 
+   10000    22.845561   -10.238723   0.74236932    1.0858726    1.0083102 
+Loop time of 0.812716 on 4 procs for 10000 steps with 361 atoms
+
+Performance: 5315508.362 tau/day, 12304.418 timesteps/s
+98.9% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.12434    | 0.13482    | 0.14506    |   2.5 | 16.59
+Bond    | 0.053339   | 0.058165   | 0.062916   |   1.9 |  7.16
+Neigh   | 0.28554    | 0.29233    | 0.29933    |   0.9 | 35.97
+Comm    | 0.16602    | 0.19226    | 0.21833    |   4.3 | 23.66
+Output  | 0.0017536  | 0.0019155  | 0.0022504  |   0.4 |  0.24
+Modify  | 0.040126   | 0.040341   | 0.04054    |   0.1 |  4.96
+Other   |            | 0.09288    |            |       | 11.43
+
+Nlocal:    90.25 ave 91 max 90 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    198.25 ave 206 max 191 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Neighs:    667.75 ave 751 max 627 min
+Histogram: 2 0 1 0 0 0 0 0 0 1
+
+Total # of neighbors = 2671
+Ave neighs/atom = 7.39889
+Ave special neighs/atom = 5.61773
+Neighbor list builds = 4832
+Dangerous builds = 0
+Total wall time: 0:00:00
--- a/examples/balance/log.27Sep16.balance.bond.slow.g++.4
+++ b/examples/balance/log.27Sep16.balance.bond.slow.g++.4
@ -1,4 +1,4 @@
-LAMMPS (15 Feb 2016)
+LAMMPS (26 Sep 2016)
 # 2d circle of particles inside a box with LJ walls

 variable        b index 0
@ -91,7 +91,7 @@ Neighbor list info ...
  ghost atom cutoff = 2.8
  binsize = 1.4 -> bins = 42 29 1
 Memory usage per processor = 6.41878 Mbytes
-Step Temp E_pair Press 10[3] 10 
+Step Temp E_pair Press f_10[3] f_10 
       0   0.57437856            0   0.26099453    3.2354571    1.0526316 
     100   0.29756515            0   0.10149401    1.0193906    1.0083102 
     200   0.35394813            0  0.075159099    1.0304709    1.0083102 
@ -108,9 +108,9 @@ Step Temp E_pair Press 10[3] 10
    1300   0.32952819            0     0.124902    1.0083102    1.0083102 
    1400   0.34497365            0   0.12662081    1.0193906    1.0083102 
    1500   0.33429243            0  0.096230972    1.0526316    1.0193906 
-    1600   0.33765387            0  0.025800542    1.0304709    1.0083102 
-    1700   0.35134464            0  -0.04422593    1.0415512    1.0193906 
-    1800   0.35003859            0 -0.096745576    1.0304709    1.0193906 
+    1600   0.33765387            0  0.025800542    1.0304709    1.0193906 
+    1700   0.35134464            0  -0.04422593    1.0415512    1.0083102 
+    1800   0.35003859            0 -0.096745576    1.0304709    1.0083102 
    1900   0.33839618            0 -0.095465943    1.0193906    1.0083102 
    2000   0.33732078            0 -0.094652802    1.0083102    1.0083102 
    2100   0.34552238            0 -0.076729261    1.0304709    1.0083102 
@ -179,7 +179,7 @@ Step Temp E_pair Press 10[3] 10
    8400   0.30619282            0  -0.12952879    1.0193906    1.0193906 
    8500   0.34446484            0 -0.098084709    1.0083102    1.0083102 
    8600   0.33761673            0  -0.07069818    1.0193906    1.0083102 
-    8700   0.34495452            0 -0.022458056    1.0193906    1.0083102 
+    8700   0.34495452            0 -0.022458056    1.0193906    1.0193906 
    8800   0.33502983            0  0.027742411    1.0304709    1.0083102 
    8900   0.35418591            0  0.092390134    1.0083102    1.0193906 
    9000   0.31648387            0   0.12467398    1.0193906    1.0083102 
@ -192,12 +192,12 @@ Step Temp E_pair Press 10[3] 10
    9700   0.32088235            0  -0.12027075    1.0193906    1.0083102 
    9800    0.3320823            0  -0.11602794    1.0415512    1.0083102 
    9900   0.33916442            0 -0.080281044    1.0083102    1.0083102 
-   10000   0.34852268            0  -0.01000914    1.0193906    1.0193906 
+   10000   0.34852268            0  -0.01000914    1.0193906    1.0083102 
   10100   0.32955942            0   0.04258493    1.0083102    1.0083102 
-   10200   0.34487898            0  0.086971308    1.0304709    1.0193906 
+   10200   0.34487898            0  0.086971308    1.0304709    1.0083102 
   10300   0.32325593            0   0.11558149    1.0304709    1.0193906 
   10400   0.30927871            0   0.12239437    1.0083102    1.0083102 
-   10500   0.33176799            0   0.12285937    1.0193906    1.0193906 
+   10500   0.33176799            0   0.12285937    1.0193906    1.0083102 
   10600   0.35120027            0  0.084897432    1.0083102    1.0083102 
   10700   0.33129697            0 0.0053089279    1.0193906    1.0193906 
   10800   0.36028769            0  -0.04280715    1.0193906    1.0083102 
@ -214,7 +214,7 @@ Step Temp E_pair Press 10[3] 10
   11900   0.33836678            0  0.067253864    1.0193906    1.0193906 
   12000   0.34853314            0   0.03201448    1.0193906    1.0083102 
   12100   0.34600048            0 -0.034833402    1.0304709    1.0083102 
-   12200   0.33145631            0  -0.09865675    1.0193906    1.0193906 
+   12200   0.33145631            0  -0.09865675    1.0193906    1.0083102 
   12300   0.32848884            0   -0.1248489    1.0193906    1.0193906 
   12400    0.3321344            0  -0.11266575    1.0083102    1.0083102 
   12500   0.32622305            0 -0.061634993    1.0304709    1.0083102 
@ -225,11 +225,11 @@ Step Temp E_pair Press 10[3] 10
   13000   0.31993287            0   0.13879926    1.0193906    1.0193906 
   13100    0.3422918            0   0.11978905    1.0083102    1.0083102 
   13200   0.33055236            0  0.062620483    1.0193906    1.0083102 
-   13300   0.34652207            0 0.0043833459    1.0304709    1.0193906 
+   13300   0.34652207            0 0.0043833459    1.0304709    1.0083102 
   13400   0.33574661            0  -0.04691024    1.0304709    1.0083102 
   13500   0.33940837            0 -0.074241604    1.0304709    1.0083102 
-   13600   0.32093414            0   -0.1078027    1.0193906    1.0083102 
-   13700   0.34336597            0  -0.10544097    1.0193906    1.0083102 
+   13600   0.32093414            0   -0.1078027    1.0193906    1.0193906 
+   13700   0.34336597            0  -0.10544097    1.0193906    1.0193906 
   13800   0.35806461            0 -0.072531559    1.0193906    1.0083102 
   13900   0.35209713            0 -0.018851408    1.0083102    1.0083102 
   14000   0.35702629            0  0.061046366    1.0083102    1.0083102 
@ -243,13 +243,13 @@ Step Temp E_pair Press 10[3] 10
   14800   0.33679845            0  -0.10067728    1.0193906    1.0193906 
   14900   0.32790966            0  -0.10925568    1.0193906    1.0083102 
   15000   0.34208495            0  -0.09568004    1.0193906    1.0083102 
-   15100   0.33647529            0 -0.055652929    1.0083102    1.0193906 
+   15100   0.33647529            0 -0.055652929    1.0083102    1.0083102 
   15200   0.35328398            0 -0.020236536    1.0193906    1.0193906 
   15300   0.34252669            0  0.026434179    1.0083102    1.0193906 
   15400   0.34409435            0  0.094410599    1.0304709    1.0083102 
   15500   0.32288994            0   0.12034455    1.0415512    1.0193906 
-   15600   0.32109689            0   0.13645185    1.0193906    1.0193906 
-   15700   0.33681572            0  0.098607746    1.0415512    1.0083102 
+   15600   0.32109689            0   0.13645185    1.0193906    1.0083102 
+   15700   0.33681572            0  0.098607746    1.0415512    1.0193906 
   15800   0.33635195            0   0.05570715    1.0193906    1.0193906 
   15900   0.34289757            0  0.013849092    1.0304709    1.0083102 
   16000   0.34225547            0 -0.035597548    1.0304709    1.0083102 
@ -261,7 +261,7 @@ Step Temp E_pair Press 10[3] 10
   16600   0.35109001            0  0.041251169    1.0304709    1.0083102 
   16700   0.34336905            0  0.077996627    1.0193906    1.0083102 
   16800   0.33277414            0   0.11053634    1.0083102    1.0083102 
-   16900   0.32183338            0   0.11680626    1.0193906    1.0083102 
+   16900   0.32183338            0   0.11680626    1.0193906    1.0193906 
   17000   0.34044352            0   0.10806555    1.0193906    1.0083102 
   17100   0.32967873            0  0.067759786    1.0304709    1.0193906 
   17200   0.36172278            0 -0.0048631904    1.0304709    1.0083102 
@ -293,17 +293,17 @@ Step Temp E_pair Press 10[3] 10
   19800   0.34880695            0  0.042483681    1.0193906    1.0083102 
   19900   0.33903644            0  0.034788638    1.0083102    1.0193906 
   20000   0.32590125            0  0.011383785    1.0193906    1.0083102 
-   20100   0.30358859            0 0.0030743554    1.0526316    1.0083102 
+   20100   0.30358859            0 0.0030743554    1.0526316    1.0193906 
   20200   0.31830224            0  0.017637826    1.0193906    1.0193906 
   20300   0.34195438            0  0.072811099    1.0304709    1.0193906 
   20400   0.31249563            0   0.10063541    1.0415512    1.0083102 
   20500   0.31544938            0    0.1405794    1.0083102    1.0083102 
   20600   0.30071644            0   0.12763486    1.0193906    1.0193906 
-   20700    0.2890265            0    0.1136651    1.0083102    1.0083102 
+   20700    0.2890265            0    0.1136651    1.0083102    1.0193906 
   20800   0.28962296            0  0.094481978    1.0193906    1.0083102 
   20900   0.29447212            0    0.0967165    1.0193906    1.0193906 
-   21000   0.31159961            0  0.067307231    1.0083102    1.0193906 
-   21100   0.30490648            0  0.017689358    1.0083102    1.0304709 
+   21000   0.31159961            0  0.067307231    1.0083102    1.0083102 
+   21100   0.30490648            0  0.017689358    1.0083102    1.0193906 
   21200   0.30687262            0 -0.016055512    1.0193906    1.0193906 
   21300   0.30083286            0 -0.0014988997    1.0193906    1.0083102 
   21400   0.32070426            0  0.015960302    1.0083102    1.0083102 
@ -314,7 +314,7 @@ Step Temp E_pair Press 10[3] 10
   21900   0.32451958            0  0.068935768    1.0304709    1.0193906 
   22000   0.35219298            0  0.067161227    1.0193906    1.0193906 
   22100   0.34857705            0  0.032731746    1.0193906    1.0083102 
-   22200   0.34750227            0 0.0056917695    1.0193906    1.0083102 
+   22200   0.34750227            0 0.0056917695    1.0193906    1.0193906 
   22300   0.34766017            0 -0.0027090483    1.0193906    1.0083102 
   22400   0.33426062            0 -0.023196063    1.0304709    1.0193906 
   22500   0.34174625            0 -0.025019717    1.0083102    1.0083102 
@ -328,11 +328,11 @@ Step Temp E_pair Press 10[3] 10
   23300   0.32965664            0  0.035989589    1.0193906    1.0083102 
   23400   0.30927749            0  0.024581106    1.0193906    1.0083102 
   23500   0.32890632            0   0.01092479    1.0304709    1.0193906 
-   23600   0.34137438            0 0.0094839745    1.0193906    1.0083102 
+   23600   0.34137438            0 0.0094839745    1.0193906    1.0193906 
   23700   0.34512638            0 -0.012392771    1.0304709    1.0193906 
   23800   0.31781354            0 -0.012908449    1.0193906    1.0193906 
-   23900   0.32405513            0 -0.015018071    1.0415512    1.0193906 
-   24000   0.33549728            0 -0.012812915    1.0193906    1.0083102 
+   23900   0.32405513            0 -0.015018071    1.0415512    1.0083102 
+   24000   0.33549728            0 -0.012812915    1.0193906    1.0193906 
   24100   0.31368736            0 -0.020818372    1.0304709    1.0193906 
   24200   0.33533836            0 0.0056121057    1.0083102    1.0193906 
   24300   0.32530627            0  0.018183931    1.0415512    1.0083102 
@ -352,12 +352,12 @@ Step Temp E_pair Press 10[3] 10
   25700   0.34048065            0  0.022513032    1.0193906    1.0193906 
   25800   0.33029079            0  0.038733531    1.0193906    1.0083102 
   25900   0.33031324            0  0.026156982    1.0304709    1.0193906 
-   26000   0.32967371            0  0.028727383    1.0083102    1.0083102 
+   26000   0.32967371            0  0.028727383    1.0083102    1.0193906 
   26100   0.33775718            0  0.015607478    1.0083102    1.0193906 
   26200   0.35097144            0  0.012291703    1.0083102    1.0083102 
   26300   0.34303792            0 0.00094823191    1.0083102    1.0193906 
   26400   0.33632665            0 -0.0026904889    1.0193906    1.0193906 
-   26500   0.33580127            0 -0.0074168555    1.0193906    1.0193906 
+   26500   0.33580127            0 -0.0074168555    1.0193906    1.0083102 
   26600   0.33063188            0 -0.020378601    1.0083102    1.0193906 
   26700   0.33581846            0 -0.00084397268    1.0083102    1.0193906 
   26800   0.32998532            0  0.015932208    1.0304709    1.0193906 
@ -375,12 +375,12 @@ Step Temp E_pair Press 10[3] 10
   28000   0.32300727            0 -0.0004153384    1.0304709    1.0083102 
   28100   0.32147461            0 -0.0058543412    1.0083102    1.0083102 
   28200   0.35532383            0  0.013646951    1.0304709    1.0083102 
-   28300   0.31507942            0  0.026532255    1.0415512    1.0193906 
+   28300   0.31507942            0  0.026532255    1.0415512    1.0083102 
   28400   0.32711006            0  0.033214981    1.0193906    1.0083102 
   28500   0.34472462            0  0.028050837    1.0304709    1.0193906 
   28600   0.33708059            0  0.019115676    1.0083102    1.0083102 
-   28700   0.34478087            0  0.023743689    1.0304709    1.0083102 
-   28800   0.34546686            0 0.0081772997    1.0304709    1.0193906 
+   28700   0.34478087            0  0.023743689    1.0304709    1.0193906 
+   28800   0.34546686            0 0.0081772997    1.0304709    1.0083102 
   28900   0.34004886            0  0.017771865    1.0415512    1.0193906 
   29000   0.33604232            0 -0.010505671    1.0304709    1.0193906 
   29100   0.33541374            0 -0.016273261    1.0083102    1.0083102 
@ -411,14 +411,14 @@ Step Temp E_pair Press 10[3] 10
   31600   0.34273493            0 -0.013456537    1.0083102    1.0083102 
   31700   0.32723905            0 -0.019243766    1.0193906    1.0083102 
   31800   0.33636488            0 0.0027814902    1.0083102    1.0083102 
-   31900   0.32834805            0   0.00706877    1.0083102    1.0083102 
+   31900   0.32834805            0   0.00706877    1.0083102    1.0193906 
   32000   0.33995148            0 0.0018383309    1.0193906    1.0193906 
   32100   0.33412282            0 0.0076455933    1.0083102    1.0083102 
   32200   0.34334884            0  0.023586129    1.0083102    1.0083102 
   32300   0.32778925            0  0.020564321    1.0193906    1.0083102 
   32400   0.33163443            0  0.038878463    1.0193906    1.0083102 
   32500   0.32290345            0  0.022247461    1.0193906    1.0193906 
-   32600   0.34113954            0  0.010966365    1.0304709    1.0083102 
+   32600   0.34113954            0  0.010966365    1.0304709    1.0193906 
   32700   0.33390633            0 0.0037777555    1.0193906    1.0083102 
   32800   0.34385341            0  0.010556575    1.0193906    1.0193906 
   32900   0.32137047            0 0.00022027143    1.0526316    1.0193906 
@ -443,15 +443,15 @@ Step Temp E_pair Press 10[3] 10
   34800   0.33902329            0  0.030037037    1.0415512    1.0193906 
   34900    0.3216153            0  0.027996689    1.0304709    1.0083102 
   35000   0.32701056            0  0.024778517    1.0193906    1.0193906 
-   35100    0.3124942            0  0.011316548    1.0193906    1.0304709 
+   35100    0.3124942            0  0.011316548    1.0193906    1.0193906 
   35200   0.34486416            0  0.011670127    1.0193906    1.0193906 
   35300   0.33275353            0  0.020491246    1.0193906    1.0193906 
-   35400   0.33618763            0  0.014678874    1.0083102    1.0083102 
+   35400   0.33618763            0  0.014678874    1.0083102    1.0193906 
   35500   0.32352282            0 -0.018568683    1.0193906    1.0193906 
   35600   0.32617903            0 -0.012796912    1.0193906    1.0193906 
   35700   0.32378048            0 -0.021318585    1.0193906    1.0083102 
   35800    0.3371086            0 -0.0023678632    1.0193906    1.0193906 
-   35900   0.33818476            0  0.011197742    1.0193906    1.0193906 
+   35900   0.33818476            0  0.011197742    1.0193906    1.0083102 
   36000   0.35142144            0  0.022520935    1.0083102    1.0193906 
   36100   0.35147297            0  0.020277852    1.0193906    1.0083102 
   36200   0.33489465            0  0.014564878    1.0415512    1.0083102 
@ -464,10 +464,10 @@ Step Temp E_pair Press 10[3] 10
   36900   0.35003816            0 -0.0021184393    1.0083102    1.0193906 
   37000   0.32965041            0 -0.020900951    1.0193906    1.0083102 
   37100   0.34653095            0 -0.013667977    1.0193906    1.0083102 
-   37200   0.35019871            0 -0.0071740923    1.0083102    1.0304709 
+   37200   0.35019871            0 -0.0071740923    1.0083102    1.0193906 
   37300   0.34859745            0   0.02006041    1.0304709    1.0083102 
   37400   0.35739859            0  0.020892822    1.0193906    1.0083102 
-   37500   0.34128859            0  0.041072111    1.0193906    1.0193906 
+   37500   0.34128859            0  0.041072111    1.0193906    1.0083102 
   37600   0.33781905            0  0.023376738    1.0193906    1.0083102 
   37700   0.32961874            0  0.030953741    1.0193906    1.0083102 
   37800     0.343987            0  0.029579795    1.0083102    1.0083102 
@ -481,7 +481,7 @@ Step Temp E_pair Press 10[3] 10
   38600   0.32322402            0  0.053453832    1.0193906    1.0304709 
   38700   0.33843057            0  0.076264534    1.0083102    1.0193906 
   38800   0.31350741            0  0.064733869    1.0415512    1.0083102 
-   38900   0.31943061            0  0.067836769    1.0304709    1.0193906 
+   38900   0.31943061            0  0.067836769    1.0304709    1.0083102 
   39000   0.33775583            0    0.0788316    1.0193906    1.0193906 
   39100   0.34256036            0  0.075874935    1.0083102    1.0193906 
   39200   0.33128527            0  0.071610976    1.0193906    1.0083102 
@ -491,23 +491,23 @@ Step Temp E_pair Press 10[3] 10
   39600   0.34000737            0  0.016149089    1.0304709    1.0083102 
   39700   0.34587892            0  0.021619621    1.0526316    1.0083102 
   39800   0.34878036            0 0.0092881327    1.0083102    1.0193906 
-   39900   0.35225411            0 -0.011341599    1.0083102    1.0083102 
+   39900   0.35225411            0 -0.011341599    1.0083102    1.0193906 
   40000   0.36309266            0 0.0050869295    1.0304709    1.0083102 
-Loop time of 1.06031 on 4 procs for 40000 steps with 361 atoms
+Loop time of 1.07961 on 4 procs for 40000 steps with 361 atoms

-Performance: 16297104.069 tau/day, 37724.778 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 16005824.195 tau/day, 37050.519 timesteps/s
+99.1% CPU use with 4 MPI tasks x no OpenMP threads

 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.019866   | 0.021036   | 0.024189   |   1.3 |  1.98
-Bond    | 0.21436    | 0.24183    | 0.27259    |   5.1 | 22.81
-Neigh   | 0.16022    | 0.16068    | 0.16101    |   0.1 | 15.15
-Comm    | 0.2742     | 0.31331    | 0.3498     |   5.6 | 29.55
-Output  | 0.0070348  | 0.0075188  | 0.0087383  |   0.8 |  0.71
-Modify  | 0.14238    | 0.14861    | 0.15484    |   1.3 | 14.02
-Other   |            | 0.1673     |            |       | 15.78
+Pair    | 0.019289   | 0.021061   | 0.024797   |   1.5 |  1.95
+Bond    | 0.21005    | 0.23732    | 0.26838    |   5.0 | 21.98
+Neigh   | 0.15978    | 0.16143    | 0.16328    |   0.4 | 14.95
+Comm    | 0.2817     | 0.32626    | 0.36457    |   5.8 | 30.22
+Output  | 0.0069985  | 0.0075181  | 0.0087821  |   0.8 |  0.70
+Modify  | 0.1463     | 0.15235    | 0.16128    |   1.5 | 14.11
+Other   |            | 0.1737     |            |       | 16.09

 Nlocal:    90.25 ave 91 max 89 min
 Histogram: 1 0 0 0 0 1 0 0 0 2
--- a/examples/balance/log.27Sep16.balance.clock.dynamic.g++.4
+++ b/examples/balance/log.27Sep16.balance.clock.dynamic.g++.4
@ -0,0 +1,221 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+compute		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 shift x 10 1.0                 weight time 1.0 weight store WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+Memory usage per processor = 3.0442 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
+     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606    4738.2137 
+     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
+     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
+     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842    4738.2137 
+     350   0.55600296   -6.2801497            0   -5.4463538   -2.0394056    4738.2137 
+     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
+     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
+Loop time of 2.31899 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 93143.824 tau/day, 215.611 timesteps/s
+99.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.1238     | 1.43       | 1.6724     |  19.4 | 61.66
+Neigh   | 0.26414    | 0.3845     | 0.55604    |  20.2 | 16.58
+Comm    | 0.36444    | 0.48475    | 0.61759    |  15.3 | 20.90
+Output  | 0.00027871 | 0.00032145 | 0.00035334 |   0.2 |  0.01
+Modify  | 0.0064867  | 0.0086303  | 0.011487   |   2.3 |  0.37
+Other   |            | 0.01078    |            |       |  0.46
+
+Nlocal:    1000 ave 1565 max 584 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8752 ave 9835 max 8078 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    149308 ave 161748 max 133300 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+
+Total # of neighbors = 597231
+Ave neighs/atom = 149.308
+Neighbor list builds = 50
+Dangerous builds = 0
+run		500
+Memory usage per processor = 3.06519 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
+     550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834    4738.2137 
+     600   0.54275982   -6.2616799            0   -5.4477437   -1.9939993    4738.2137 
+     650   0.54526651    -6.265098            0   -5.4474027   -2.0303672    4738.2137 
+     700   0.54369381    -6.263201            0   -5.4478642   -1.9921967    4738.2137 
+     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675    4738.2137 
+     800   0.55061744   -6.2725556            0   -5.4468359   -2.0100922    4738.2137 
+     850   0.55371614   -6.2763992            0   -5.4460326   -2.0065329    4738.2137 
+     900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122    4738.2137 
+     950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278    4738.2137 
+    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
+Loop time of 2.32391 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 92946.753 tau/day, 215.155 timesteps/s
+99.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.1054     | 1.4081     | 1.6402     |  19.8 | 60.59
+Neigh   | 0.28061    | 0.4047     | 0.57291    |  19.7 | 17.41
+Comm    | 0.38485    | 0.4918     | 0.62503    |  15.5 | 21.16
+Output  | 0.00028014 | 0.00031483 | 0.00032997 |   0.1 |  0.01
+Modify  | 0.0064781  | 0.0084658  | 0.011106   |   2.2 |  0.36
+Other   |            | 0.01051    |            |       |  0.45
+
+Nlocal:    1000 ave 1560 max 593 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8716.25 ave 9788 max 8009 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    150170 ave 164293 max 129469 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+
+Total # of neighbors = 600678
+Ave neighs/atom = 150.169
+Neighbor list builds = 53
+Dangerous builds = 0
+fix		0 all balance 50 1.0 shift x 5 1.0                 weight neigh 0.5 weight time 0.66 weight store WEIGHT
+run             500
+Memory usage per processor = 3.06519 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
+    1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821    4738.2137 
+    1100   0.55427881   -6.2781733            0    -5.446963   -2.0021027    4738.2137 
+    1150   0.54730654    -6.267257            0   -5.4465025   -1.9420678    4738.2137 
+    1200    0.5388281   -6.2547963            0   -5.4467562    -1.890178    4738.2137 
+    1250   0.54848768   -6.2694237            0   -5.4468979   -1.9636797    4738.2137 
+    1300   0.54134321   -6.2590728            0    -5.447261   -1.9170271    4738.2137 
+    1350   0.53564389   -6.2501521            0   -5.4468871   -1.8642306    4738.2137 
+    1400   0.53726924   -6.2518379            0   -5.4461355   -1.8544028    4738.2137 
+    1450   0.54525935   -6.2632653            0   -5.4455808   -1.9072158    4738.2137 
+    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
+Loop time of 2.13659 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 101095.806 tau/day, 234.018 timesteps/s
+99.6% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.3372     | 1.3773     | 1.4155     |   2.5 | 64.46
+Neigh   | 0.22376    | 0.37791    | 0.57496    |  25.4 | 17.69
+Comm    | 0.20357    | 0.36123    | 0.52777    |  25.5 | 16.91
+Output  | 0.00029254 | 0.00034094 | 0.00039411 |   0.2 |  0.02
+Modify  | 0.0056622  | 0.0082379  | 0.01147    |   2.9 |  0.39
+Other   |            | 0.01156    |            |       |  0.54
+
+Nlocal:    1000 ave 1629 max 525 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    8647.25 ave 9725 max 7935 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    150494 ave 161009 max 143434 min
+Histogram: 1 1 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 601974
+Ave neighs/atom = 150.494
+Neighbor list builds = 51
+Dangerous builds = 0
+run             500
+Memory usage per processor = 3.06519 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
+    1550   0.55327017   -6.2750125            0   -5.4453148   -1.9506584    4738.2137 
+    1600   0.54419003   -6.2612622            0   -5.4451812   -1.8559437    4738.2137 
+    1650   0.54710034   -6.2661978            0   -5.4457525   -1.8882831    4738.2137 
+    1700   0.53665689   -6.2504958            0   -5.4457117   -1.8068004    4738.2137 
+    1750   0.54864706   -6.2681124            0   -5.4453476   -1.8662646    4738.2137 
+    1800   0.54476202   -6.2615083            0   -5.4445696   -1.8352824    4738.2137 
+    1850   0.54142953   -6.2555505            0   -5.4436093   -1.8005654    4738.2137 
+    1900   0.53992431    -6.254135            0    -5.444451   -1.7768688    4738.2137 
+    1950   0.54665954   -6.2640971            0   -5.4443128   -1.7947032    4738.2137 
+    2000   0.54557798   -6.2625416            0   -5.4443793   -1.8072514    4738.2137 
+Loop time of 2.17499 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 99310.978 tau/day, 229.887 timesteps/s
+99.6% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.3333     | 1.3705     | 1.397      |   2.0 | 63.01
+Neigh   | 0.24071    | 0.41014    | 0.62928    |  26.6 | 18.86
+Comm    | 0.19069    | 0.37486    | 0.53972    |  26.6 | 17.23
+Output  | 0.00031614 | 0.00035483 | 0.00040388 |   0.2 |  0.02
+Modify  | 0.0057304  | 0.0083074  | 0.01159    |   2.8 |  0.38
+Other   |            | 0.01083    |            |       |  0.50
+
+Nlocal:    1000 ave 1628 max 523 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    8641.5 ave 9769 max 7941 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+Neighs:    151654 ave 163181 max 145045 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 606616
+Ave neighs/atom = 151.654
+Neighbor list builds = 56
+Dangerous builds = 0
+
+Total wall time: 0:00:09
--- a/examples/balance/log.27Sep16.balance.clock.static.g++.4
+++ b/examples/balance/log.27Sep16.balance.clock.static.g++.4
@ -0,0 +1,188 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+  rebalancing time: 0.000447989 seconds
+  iteration count = 2
+  time weight factor: 1
+  initial/final max load/proc = 1200 1200
+  initial/final imbalance factor = 1.2 1.2
+  x cuts: 0 0.25 0.5 0.6875 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+Memory usage per processor = 2.77892 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358 
+      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778 
+     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606 
+     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
+     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
+Loop time of 1.42972 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 75539.346 tau/day, 174.860 timesteps/s
+98.9% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.34009    | 0.65732    | 1.1925     |  42.3 | 45.98
+Neigh   | 0.1324     | 0.17067    | 0.19962    |   6.6 | 11.94
+Comm    | 0.03502    | 0.5933     | 0.88766    |  45.1 | 41.50
+Output  | 0.0001173  | 0.00012749 | 0.00013947 |   0.1 |  0.01
+Modify  | 0.0024164  | 0.0032778  | 0.0040991  |   1.0 |  0.23
+Other   |            | 0.00502    |            |       |  0.35
+
+Nlocal:    1000 ave 1263 max 712 min
+Histogram: 1 0 0 0 1 0 1 0 0 1
+Nghost:    8711.5 ave 9045 max 8325 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+Neighs:    149325 ave 275165 max 77227 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 597299
+Ave neighs/atom = 149.325
+Neighbor list builds = 23
+Dangerous builds = 0
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
+  rebalancing time: 0.000354052 seconds
+  iteration count = 4
+  time weight factor: 1
+  initial/final max load/proc = 1673.83 1097.18
+  initial/final imbalance factor = 1.67383 1.09718
+  x cuts: 0 0.296875 0.453125 0.605469 1
+  y cuts: 0 1
+  z cuts: 0 1
+run		250
+Memory usage per processor = 2.7999 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
+     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842 
+     350   0.55600296   -6.2801497            0   -5.4463538   -2.0394056 
+     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594 
+     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
+Loop time of 1.10579 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 97667.971 tau/day, 226.083 timesteps/s
+99.2% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.47383    | 0.65917    | 0.86391    |  21.2 | 59.61
+Neigh   | 0.12071    | 0.17144    | 0.23972    |  11.6 | 15.50
+Comm    | 0.10061    | 0.26652    | 0.39924    |  24.8 | 24.10
+Output  | 0.00012779 | 0.00014991 | 0.00018096 |   0.2 |  0.01
+Modify  | 0.0021801  | 0.0032307  | 0.0047314  |   1.8 |  0.29
+Other   |            | 0.005272   |            |       |  0.48
+
+Nlocal:    1000 ave 1479 max 635 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+Nghost:    8759.5 ave 9918 max 7969 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    149356 ave 195930 max 110209 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+
+Total # of neighbors = 597424
+Ave neighs/atom = 149.356
+Neighbor list builds = 24
+Dangerous builds = 0
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
+  rebalancing time: 0.000221968 seconds
+  iteration count = 4
+  time weight factor: 1
+  initial/final max load/proc = 1200.06 1176.79
+  initial/final imbalance factor = 1.20006 1.17679
+  x cuts: 0 0.306641 0.443359 0.595947 1
+  y cuts: 0 1
+  z cuts: 0 1
+run 		250
+Memory usage per processor = 2.7999 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
+     550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834 
+     600   0.54275982   -6.2616799            0   -5.4477437   -1.9939993 
+     650   0.54526651    -6.265098            0   -5.4474027   -2.0303672 
+     700   0.54369381    -6.263201            0   -5.4478642   -1.9921967 
+     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
+Loop time of 1.10659 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 97597.325 tau/day, 225.920 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    | 0.59596    | 0.67205    | 0.81576    |  10.9 | 60.73
+Neigh   | 0.098      | 0.18193    | 0.2707     |  16.7 | 16.44
+Comm    | 0.15524    | 0.24375    | 0.40352    |  19.4 | 22.03
+Output  | 0.00013709 | 0.00017041 | 0.00020695 |   0.2 |  0.02
+Modify  | 0.0016487  | 0.0032793  | 0.0050011  |   2.4 |  0.30
+Other   |            | 0.005414   |            |       |  0.49
+
+Nlocal:    1000 ave 1580 max 493 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Nghost:    8736.5 ave 9808 max 8009 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    149124 ave 178715 max 132100 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+
+Total # of neighbors = 596497
+Ave neighs/atom = 149.124
+Neighbor list builds = 25
+Dangerous builds = 0
+Total wall time: 0:00:03
--- a/examples/balance/log.27Sep16.balance.g++.4
+++ b/examples/balance/log.27Sep16.balance.g++.4
@ -0,0 +1,202 @@
+LAMMPS (26 Sep 2016)
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	atomic
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 2 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom c_1%10
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		10000
+Neighbor list info ...
+  1 neighbor list requests
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4 -> bins = 42 29 1
+Memory usage per processor = 2.48839 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -29.143179   -1.2407285    3.2354571    1.0526316 
+     100    26.269576   -29.713313    7.9052334    1.2742382    1.0304709 
+     200    26.368336   -29.809962    1.6412462    1.2520776    1.0083102 
+     300    26.479082   -29.920083    2.3678653    1.2299169    1.0193906 
+     400    26.522239   -29.965537    6.6787858    1.1855956    1.0193906 
+     500    25.725591   -29.168034   0.67065285    1.2520776    1.0083102 
+     600    26.247693   -29.692706    7.9887712    1.3074792    1.0083102 
+     700    26.237368   -29.676926    1.5987214    1.2409972    1.0083102 
+     800    25.889643   -29.431589    4.6160859    1.2631579    1.0083102 
+     900    23.635295   -27.372963     9.029962    1.1634349    1.0083102 
+    1000    22.571904    -25.87422    1.8936085    1.1301939    1.0193906 
+    1100    17.493795   -21.447274     9.502619    1.0858726    1.0193906 
+    1200    17.214459   -20.726965    6.3578917    1.0304709    1.0193906 
+    1300    16.424084   -19.757322    3.9028131    1.1191136    1.0083102 
+    1400    15.026954   -18.109911    1.7623684    1.0858726    1.0193906 
+    1500    13.640678   -16.740794    1.5347425    1.0858726    1.0193906 
+    1600    13.618211   -16.610276    1.9480883    1.0747922    1.0083102 
+    1700    13.266465   -16.300632    1.6890777    1.0637119    1.0193906 
+    1800    12.178444   -15.175544    2.1018989    1.0304709    1.0083102 
+    1900    12.131633   -15.075269    2.0174899    1.0526316    1.0193906 
+    2000    12.290785   -15.185923    1.8747772    1.0415512    1.0193906 
+    2100     12.02255   -14.947108     1.086185    1.0747922    1.0083102 
+    2200    11.733238   -14.620414   0.93934447    1.0526316    1.0193906 
+    2300    12.180779   -15.092283    1.1969416    1.0526316    1.0083102 
+    2400    11.721247   -14.503377    1.3759878    1.1080332    1.0083102 
+    2500    11.609116   -14.371603    2.0315139    1.0747922    1.0083102 
+    2600    11.712503   -14.494711    1.7236598    1.0415512    1.0193906 
+    2700    10.932816   -13.665751    1.2772732    1.0415512    1.0083102 
+    2800    10.418752   -13.183889    1.2940564    1.0415512    1.0193906 
+    2900    10.668297   -13.404525   0.90378659    1.0304709    1.0083102 
+    3000    10.562215   -13.581566    1.0507999    1.0083102    1.0193906 
+    3100    10.283188   -13.016565    1.0685664    1.0526316    1.0193906 
+    3200    10.424678   -13.136756    1.4038511    1.0193906    1.0083102 
+    3300    10.207304   -12.901323    1.3077174    1.0415512    1.0193906 
+    3400    10.143301   -12.802915    1.2776266    1.0415512    1.0193906 
+    3500    9.8449452   -12.507639    1.5455496    1.0637119    1.0083102 
+    3600    9.5629038   -12.204164   0.84971204    1.0304709    1.0083102 
+    3700    9.1851938   -11.809431    1.0102805    1.0304709    1.0193906 
+    3800    9.3305969   -11.989086   0.69923461    1.0193906    1.0083102 
+    3900    9.2415243   -11.880498    1.2471235    1.0637119    1.0193906 
+    4000    8.8240051   -11.417696   0.60781901    1.0304709    1.0083102 
+    4100    8.9126422   -11.503716   0.96900558    1.0083102    1.0083102 
+    4200    8.3738185    -10.93925   0.84927158    1.0193906    1.0083102 
+    4300    8.2401487    -10.90291   0.97775564    1.0083102    1.0083102 
+    4400     8.061288   -10.722169    1.4106859    1.0193906    1.0193906 
+    4500    7.8900038   -10.422818   0.67651486    1.0193906    1.0193906 
+    4600    7.8306694   -10.363812   0.83437455    1.0193906    1.0193906 
+    4700    8.1116499   -10.712008   0.58885383    1.0304709    1.0193906 
+    4800    8.0508103   -10.576232   0.52562827    1.0193906    1.0083102 
+    4900    7.8161815   -10.368333   0.89724847    1.0415512    1.0083102 
+    5000    7.4940002   -9.9763835     1.215446    1.0304709    1.0083102 
+    5100    7.9981403   -10.510786    1.0948502    1.0304709    1.0193906 
+    5200    7.7674668   -10.259031   0.81850586    1.0304709    1.0193906 
+    5300    7.9627913   -10.465018   0.75004253    1.0304709    1.0083102 
+    5400    7.8093696   -10.371624   0.75451812    1.0193906    1.0083102 
+    5500    8.1189569   -10.623288   0.91908416    1.0304709    1.0083102 
+    5600    7.5970957   -10.070305   0.84265844    1.0415512    1.0083102 
+    5700    7.4322203   -9.9176252   0.32608772    1.0304709    1.0083102 
+    5800    7.8210607   -10.311444   0.95696619    1.0304709    1.0083102 
+    5900    7.6181913   -10.111225    1.1341946    1.0193906    1.0083102 
+    6000    7.2217555   -9.7122281   0.75858423    1.0637119    1.0083102 
+    6100    7.3643302    -9.851242    0.5240439    1.0193906    1.0193906 
+    6200    7.0281589   -9.4834454   0.59523945    1.0526316    1.0193906 
+    6300    7.1383115   -9.6099868   0.87558078    1.0193906    1.0193906 
+    6400    7.2136999   -9.6965877   0.88426542    1.0304709    1.0083102 
+    6500    7.1710521   -9.7082917    1.2055959    1.0415512    1.0193906 
+    6600    7.4150515   -9.9376614   0.48201097    1.0304709    1.0083102 
+    6700    6.8701427   -9.3844769   0.72785561    1.0526316    1.0193906 
+    6800    6.8486978   -9.3256413   0.93231327    1.0193906    1.0083102 
+    6900     6.583533   -9.0068813   0.51281911    1.0193906    1.0193906 
+    7000    6.7199396   -9.1773668   0.12636874    1.0193906    1.0083102 
+    7100    6.5193695   -8.9553058    1.0423295    1.0083102    1.0193906 
+    7200    6.4868896   -8.9090695   0.49867926    1.0083102    1.0193906 
+    7300    6.2975635   -8.7775483   0.49072731    1.0415512    1.0083102 
+    7400    6.4966155   -8.9410837   0.52952897    1.0193906    1.0083102 
+    7500    6.7100139    -9.166691   0.82930078    1.0193906    1.0083102 
+    7600    6.3569418   -8.7843554   0.93473251    1.0193906    1.0083102 
+    7700     6.122789   -8.5434369   0.33725874    1.0526316    1.0083102 
+    7800    6.0249595   -8.4453069   0.52784464    1.0193906    1.0083102 
+    7900    6.6673238   -9.1166487   0.93753595    1.0193906    1.0083102 
+    8000    6.4177253   -8.8896071   0.57421674    1.0193906    1.0193906 
+    8100     5.965959   -8.3655023   0.42043964    1.0304709    1.0193906 
+    8200    6.3325216    -8.758339   0.76723151    1.0193906    1.0193906 
+    8300    6.4992751    -8.943922   0.86331769    1.0526316    1.0193906 
+    8400    6.1834495   -8.6059885   0.43133079    1.0415512    1.0193906 
+    8500    6.2567239   -8.6758815    0.8551113    1.0083102    1.0193906 
+    8600    6.1232623   -8.5905174    0.6014726    1.0304709    1.0083102 
+    8700    6.6650376   -9.0949995   0.46866086    1.0637119    1.0193906 
+    8800    6.6103957   -9.0116868   0.84371859    1.0083102    1.0193906 
+    8900    5.8867946   -8.3162884   0.64216189    1.0415512    1.0193906 
+    9000     5.685369   -8.0652138   0.32067903    1.0304709    1.0083102 
+    9100    6.2783881   -8.6826466   0.36419567    1.0415512    1.0304709 
+    9200    6.0162211   -8.4584809   0.58707128    1.0083102    1.0083102 
+    9300    5.9900511   -8.3949266   0.62037401    1.0304709    1.0193906 
+    9400    6.2686573   -8.6713334   0.81204427    1.0415512    1.0083102 
+    9500    6.0317917   -8.4325112   0.63221293    1.0304709    1.0193906 
+    9600    5.8217003    -8.256407     0.816143    1.0304709    1.0083102 
+    9700    5.6011023   -7.9966077    0.4114902    1.0304709    1.0193906 
+    9800    5.6339982   -8.0317639   0.32315576    1.0083102    1.0083102 
+    9900    5.8044743   -8.1942271   0.62892477    1.0193906    1.0083102 
+   10000    6.1722678   -8.5642925   0.80423557    1.0304709    1.0083102 
+Loop time of 0.39332 on 4 procs for 10000 steps with 361 atoms
+
+Performance: 10983420.832 tau/day, 25424.585 timesteps/s
+98.9% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.067888   | 0.075593   | 0.091022   |   3.3 | 19.22
+Neigh   | 0.071147   | 0.075568   | 0.085203   |   2.1 | 19.21
+Comm    | 0.10841    | 0.12918    | 0.14463    |   4.0 | 32.84
+Output  | 0.0017445  | 0.001877   | 0.0022032  |   0.4 |  0.48
+Modify  | 0.038837   | 0.039568   | 0.040469   |   0.3 | 10.06
+Other   |            | 0.07153    |            |       | 18.19
+
+Nlocal:    90.25 ave 91 max 90 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    22.25 ave 27 max 16 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+Neighs:    268.25 ave 400 max 133 min
+Histogram: 1 0 1 0 0 0 0 1 0 1
+
+Total # of neighbors = 1073
+Ave neighs/atom = 2.9723
+Neighbor list builds = 3611
+Dangerous builds = 0
+Total wall time: 0:00:00
--- a/examples/balance/log.27Sep16.balance.group.dynamic.g++.4
+++ b/examples/balance/log.27Sep16.balance.group.dynamic.g++.4
@ -0,0 +1,103 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor} # out weighted.txt
+balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0 
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+  rebalancing time: 0.000452042 seconds
+  iteration count = 2
+  group weights: fast=1 slow=1
+  initial/final max load/proc = 1200 1200
+  initial/final imbalance factor = 1.2 1.2
+  x cuts: 0 0.25 0.5 0.6875 1
+  y cuts: 0 1
+  z cuts: 0 1
+fix		0 all balance 10 1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor}
+fix		0 all balance 10 1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+Memory usage per processor = 2.9192 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
+     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606    4738.2137 
+     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
+     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
+Loop time of 1.48606 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 72675.623 tau/day, 168.231 timesteps/s
+99.0% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.23243    | 0.67       | 1.2235     |  47.4 | 45.09
+Neigh   | 0.17043    | 0.18781    | 0.21572    |   4.1 | 12.64
+Comm    | 0.036635   | 0.61802    | 1.0727     |  51.6 | 41.59
+Output  | 0.00011992 | 0.00013161 | 0.00015426 |   0.1 |  0.01
+Modify  | 0.005506   | 0.0055596  | 0.0056329  |   0.1 |  0.37
+Other   |            | 0.004531   |            |       |  0.30
+
+Nlocal:    1000 ave 1001 max 999 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Nghost:    8727 ave 8761 max 8674 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
+Neighs:    149349 ave 260848 max 51191 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+
+Total # of neighbors = 597396
+Ave neighs/atom = 149.349
+Neighbor list builds = 25
+Dangerous builds = 0
+Total wall time: 0:00:01
--- a/examples/balance/log.27Sep16.balance.group.static.g++.4
+++ b/examples/balance/log.27Sep16.balance.group.static.g++.4
@ -0,0 +1,139 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+balance		1.0 shift x 5 1.1 # out unweighted.txt
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+  rebalancing time: 0.000433922 seconds
+  iteration count = 2
+  initial/final max load/proc = 1200 1200
+  initial/final imbalance factor = 1.2 1.2
+  x cuts: 0 0.25 0.5 0.6875 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+balance		1.0 x uniform
+  rebalancing time: 0.000152826 seconds
+  iteration count = 0
+  initial/final max load/proc = 1200 1200
+  initial/final imbalance factor = 1.2 1.2
+  x cuts: 0 0.25 0.5 0.75 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+variable        weight atom (type==1)*1.0+(type==2)*v_factor
+balance		1.0 shift x 5 1.1 weight var weight # out weighted_var.txt
+  rebalancing time: 0.000287056 seconds
+  iteration count = 2
+  weight variable: weight
+  initial/final max load/proc = 1200 1200
+  initial/final imbalance factor = 1.2 1.2
+  x cuts: 0 0.25 0.5 0.6875 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+balance		1.0 x uniform
+  rebalancing time: 0.00011611 seconds
+  iteration count = 0
+  initial/final max load/proc = 1200 1200
+  initial/final imbalance factor = 1.2 1.2
+  x cuts: 0 0.25 0.5 0.75 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor} # out weighted_group.txt
+balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0 
+  rebalancing time: 0.000248909 seconds
+  iteration count = 2
+  group weights: fast=1 slow=1
+  initial/final max load/proc = 1200 1200
+  initial/final imbalance factor = 1.2 1.2
+  x cuts: 0 0.25 0.5 0.6875 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+Memory usage per processor = 2.77892 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358 
+      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778 
+     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606 
+     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
+     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
+Loop time of 1.41033 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 76577.913 tau/day, 177.264 timesteps/s
+98.7% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.33785    | 0.6592     | 1.1713     |  41.7 | 46.74
+Neigh   | 0.14133    | 0.17129    | 0.19681    |   5.6 | 12.15
+Comm    | 0.039078   | 0.57085    | 0.87566    |  45.3 | 40.48
+Output  | 0.00022721 | 0.00024492 | 0.00026417 |   0.1 |  0.02
+Modify  | 0.0025113  | 0.0033261  | 0.0040808  |   1.0 |  0.24
+Other   |            | 0.005427   |            |       |  0.38
+
+Nlocal:    1000 ave 1263 max 712 min
+Histogram: 1 0 0 0 1 0 1 0 0 1
+Nghost:    8711.5 ave 9045 max 8325 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+Neighs:    149325 ave 275165 max 77227 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 597299
+Ave neighs/atom = 149.325
+Neighbor list builds = 23
+Dangerous builds = 0
+Total wall time: 0:00:01
--- a/examples/balance/log.27Sep16.balance.kspace.g++.4
+++ b/examples/balance/log.27Sep16.balance.kspace.g++.4
@ -0,0 +1,110 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+#atom_style	charge
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+#set type 1:2    charge 0.0
+
+velocity	all create 1.0 87287
+
+pair_style	lj/long/coul/long long off 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+kspace_style    pppm/disp 1.0e-4
+kspace_modify   gewald/disp 0.1
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+fix		0 all balance 20 1.0 shift x 5 1.0                 weight group 2 fast 1.0 slow 2.0 weight time 0.66
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
+PPPMDisp initialization ...
+  Dispersion G vector (1/distance) = 0.1
+  Dispersion grid = 2 2 2
+  Dispersion stencil order = 5
+  Dispersion estimated absolute RMS force accuracy = 1.01251
+  Dispersion estimated absolute real space RMS force accuracy = 1.01251
+  Dispersion estimated absolute kspace RMS force accuracy = 7.29446e-07
+  Disperion estimated relative force accuracy = 1.01251
+  using double precision FFTs
+  3d grid and FFT values/proc dispersion = 294 4
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+Memory usage per processor = 3.32692 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1    52.148338            0    53.647963     94.09503    4738.2137 
+      50    17.850656    42.620113            0    69.389403    142.80556    4738.2137 
+     100    9.4607189    49.700118            0    63.887649    117.51739    4738.2137 
+     150    13.992056    47.731988            0    68.714825    140.56926    4738.2137 
+     200    11.617635    52.509395            0    69.931491     142.6933    4738.2137 
+     250    13.536262    48.330072            0    68.629389    133.91619    4738.2137 
+     300    12.619724    50.326376            0     69.25123    132.46494    4738.2137 
+     350    14.513005    50.110693            0    71.874758    143.39284    4738.2137 
+     400    12.429702    49.690909            0      68.3308     130.0808    4738.2137 
+     450    13.928225    50.969523            0    71.856637    144.44675    4738.2137 
+     500    13.286368    50.355522            0    70.280091     137.2389    4738.2137 
+Loop time of 4.79482 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 45048.596 tau/day, 104.279 timesteps/s
+99.1% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.85927    | 1.571      | 2.2092     |  51.0 | 32.76
+Kspace  | 0.61247    | 1.982      | 3.2697     |  85.3 | 41.34
+Neigh   | 0.2976     | 0.98099    | 1.8525     |  68.1 | 20.46
+Comm    | 0.090759   | 0.23335    | 0.34356    |  22.4 |  4.87
+Output  | 0.00027442 | 0.00034857 | 0.0004065  |   0.3 |  0.01
+Modify  | 0.013081   | 0.016089   | 0.0201     |   2.3 |  0.34
+Other   |            | 0.01104    |            |       |  0.23
+
+Nlocal:    1000 ave 1853 max 359 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    7773.5 ave 9196 max 6355 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    127368 ave 180948 max 71698 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 509471
+Ave neighs/atom = 127.368
+Neighbor list builds = 124
+Dangerous builds = 97
+Total wall time: 0:00:04
--- a/examples/balance/log.27Sep16.balance.neigh.dynamic.g++.4
+++ b/examples/balance/log.27Sep16.balance.neigh.dynamic.g++.4
@ -0,0 +1,221 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 shift x 5 1.0                 weight neigh 0.8 weight store WEIGHT
+compute		p all property/atom d_WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mp4 c_p type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 amap 0.0 2.0 cf 0.1 3 min blue 0.5 green max red
+
+thermo		50
+run		500
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+WARNING: No suitable neighbor list found. Neighbor weighted balancing skipped (../imbalance_neigh.cpp:65)
+Memory usage per processor = 3.0442 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
+     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606    4738.2137 
+     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
+     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
+     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842    4738.2137 
+     350   0.55600296   -6.2801497            0   -5.4463538   -2.0394056    4738.2137 
+     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
+     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
+Loop time of 2.27598 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 94904.173 tau/day, 219.686 timesteps/s
+99.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.1158     | 1.4132     | 1.6545     |  19.0 | 62.09
+Neigh   | 0.25541    | 0.38197    | 0.55281    |  20.3 | 16.78
+Comm    | 0.33626    | 0.46086    | 0.58471    |  14.7 | 20.25
+Output  | 0.00030327 | 0.00033396 | 0.0003922  |   0.2 |  0.01
+Modify  | 0.0061643  | 0.0082641  | 0.011169   |   2.4 |  0.36
+Other   |            | 0.01137    |            |       |  0.50
+
+Nlocal:    1000 ave 1551 max 604 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8754.75 ave 9849 max 8074 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    149308 ave 163995 max 129030 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+
+Total # of neighbors = 597231
+Ave neighs/atom = 149.308
+Neighbor list builds = 50
+Dangerous builds = 0
+run		500
+Memory usage per processor = 3.06519 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
+     550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834    4738.2137 
+     600   0.54275982   -6.2616799            0   -5.4477437   -1.9939993    4738.2137 
+     650   0.54526651    -6.265098            0   -5.4474027   -2.0303672    4738.2137 
+     700   0.54369381    -6.263201            0   -5.4478642   -1.9921967    4738.2137 
+     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675    4738.2137 
+     800   0.55061744   -6.2725556            0   -5.4468359   -2.0100922    4738.2137 
+     850   0.55371614   -6.2763992            0   -5.4460326   -2.0065329    4738.2137 
+     900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122    4738.2137 
+     950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278    4738.2137 
+    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
+Loop time of 2.14853 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 100533.652 tau/day, 232.717 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    | 1.1688     | 1.3591     | 1.5126     |  13.1 | 63.26
+Neigh   | 0.24981    | 0.38774    | 0.57835    |  22.5 | 18.05
+Comm    | 0.36101    | 0.38157    | 0.41179    |   3.0 | 17.76
+Output  | 0.00031686 | 0.00034499 | 0.00040627 |   0.2 |  0.02
+Modify  | 0.0059092  | 0.0082516  | 0.011432   |   2.6 |  0.38
+Other   |            | 0.01149    |            |       |  0.53
+
+Nlocal:    1000 ave 1559 max 601 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8717.25 ave 9789 max 8011 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    150170 ave 165071 max 129263 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+
+Total # of neighbors = 600678
+Ave neighs/atom = 150.169
+Neighbor list builds = 53
+Dangerous builds = 0
+run             500
+Memory usage per processor = 3.06519 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
+    1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821    4738.2137 
+    1100   0.55427881   -6.2781733            0    -5.446963   -2.0021027    4738.2137 
+    1150   0.54730654    -6.267257            0   -5.4465025   -1.9420678    4738.2137 
+    1200    0.5388281   -6.2547963            0   -5.4467562    -1.890178    4738.2137 
+    1250   0.54848768   -6.2694237            0   -5.4468979   -1.9636797    4738.2137 
+    1300   0.54134321   -6.2590728            0    -5.447261   -1.9170271    4738.2137 
+    1350   0.53564389   -6.2501521            0   -5.4468871   -1.8642306    4738.2137 
+    1400   0.53726925   -6.2518379            0   -5.4461355   -1.8544028    4738.2137 
+    1450   0.54525935   -6.2632653            0   -5.4455808   -1.9072158    4738.2137 
+    1500   0.54223342   -6.2591056            0   -5.4459588    -1.886698    4738.2137 
+Loop time of 2.13806 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 101026.160 tau/day, 233.857 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    | 1.1911     | 1.3674     | 1.5133     |  12.4 | 63.95
+Neigh   | 0.2394     | 0.37334    | 0.55622    |  22.2 | 17.46
+Comm    | 0.36084    | 0.37761    | 0.409      |   3.0 | 17.66
+Output  | 0.00030899 | 0.00033534 | 0.00039768 |   0.2 |  0.02
+Modify  | 0.0060141  | 0.0083458  | 0.011389   |   2.6 |  0.39
+Other   |            | 0.01105    |            |       |  0.52
+
+Nlocal:    1000 ave 1545 max 604 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8704 ave 9801 max 7983 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    150494 ave 165851 max 129789 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+
+Total # of neighbors = 601974
+Ave neighs/atom = 150.494
+Neighbor list builds = 51
+Dangerous builds = 0
+run             500
+Memory usage per processor = 3.06519 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1500   0.54223342   -6.2591056            0   -5.4459588    -1.886698    4738.2137 
+    1550   0.55327017   -6.2750125            0   -5.4453147   -1.9506581    4738.2137 
+    1600   0.54419032   -6.2612626            0   -5.4451812   -1.8559458    4738.2137 
+    1650   0.54710059   -6.2661984            0   -5.4457527   -1.8882842    4738.2137 
+    1700   0.53665689   -6.2504959            0   -5.4457118   -1.8067985    4738.2137 
+    1750   0.54864916   -6.2681196            0   -5.4453516   -1.8662894    4738.2137 
+    1800   0.54476391   -6.2615108            0   -5.4445692   -1.8352746    4738.2137 
+    1850   0.54142945   -6.2555553            0   -5.4436142   -1.8005732    4738.2137 
+    1900   0.53992253   -6.2541407            0   -5.4444594   -1.7768992    4738.2137 
+    1950   0.54663678   -6.2640967            0   -5.4443465   -1.7945736    4738.2137 
+    2000   0.54563235   -6.2626431            0   -5.4443992    -1.807693    4738.2137 
+Loop time of 2.18212 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 98986.300 tau/day, 229.135 timesteps/s
+99.7% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.1776     | 1.3712     | 1.5256     |  13.4 | 62.84
+Neigh   | 0.26314    | 0.4065     | 0.59956    |  22.6 | 18.63
+Comm    | 0.36859    | 0.3845     | 0.41286    |   2.7 | 17.62
+Output  | 0.00031281 | 0.00033575 | 0.00039792 |   0.2 |  0.02
+Modify  | 0.0058827  | 0.0082896  | 0.011639   |   2.7 |  0.38
+Other   |            | 0.01133    |            |       |  0.52
+
+Nlocal:    1000 ave 1544 max 605 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8676.25 ave 9831 max 7985 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+Neighs:    151653 ave 166956 max 130753 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+
+Total # of neighbors = 606611
+Ave neighs/atom = 151.653
+Neighbor list builds = 56
+Dangerous builds = 0
+
+Total wall time: 0:00:08
--- a/examples/balance/log.27Sep16.balance.neigh.rcb.g++.4
+++ b/examples/balance/log.27Sep16.balance.neigh.rcb.g++.4
@ -0,0 +1,134 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+comm_style	tiled
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 rcb weight neigh 0.8 weight store WEIGHT
+compute		p all property/atom d_WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+
+run		250
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+WARNING: No suitable neighbor list found. Neighbor weighted balancing skipped (../imbalance_neigh.cpp:65)
+Memory usage per processor = 2.90262 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
+     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606    4738.2137 
+     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
+     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
+Loop time of 0.943947 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 114413.252 tau/day, 264.845 timesteps/s
+99.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.64601    | 0.66027    | 0.67403    |   1.2 | 69.95
+Neigh   | 0.18111    | 0.18828    | 0.1953     |   1.2 | 19.95
+Comm    | 0.072217   | 0.084395   | 0.096822   |   3.4 |  8.94
+Output  | 0.00016904 | 0.00018668 | 0.00020409 |   0.1 |  0.02
+Modify  | 0.005301   | 0.0055165  | 0.0056343  |   0.2 |  0.58
+Other   |            | 0.005294   |            |       |  0.56
+
+Nlocal:    1000 ave 1004 max 996 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Nghost:    7674 ave 7678 max 7668 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+Neighs:    149349 ave 150214 max 148735 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+
+Total # of neighbors = 597396
+Ave neighs/atom = 149.349
+Neighbor list builds = 25
+Dangerous builds = 0
+run             250
+Memory usage per processor = 2.9031 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
+     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842    4738.2137 
+     350   0.55600296   -6.2801497            0   -5.4463538   -2.0394056    4738.2137 
+     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
+     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
+Loop time of 0.886707 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 121798.994 tau/day, 281.942 timesteps/s
+99.7% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.6277     | 0.63292    | 0.64433    |   0.8 | 71.38
+Neigh   | 0.1778     | 0.17937    | 0.18309    |   0.5 | 20.23
+Comm    | 0.05461    | 0.06445    | 0.070518   |   2.3 |  7.27
+Output  | 0.00015926 | 0.00017142 | 0.00018311 |   0.1 |  0.02
+Modify  | 0.0050013  | 0.0050754  | 0.0051844  |   0.1 |  0.57
+Other   |            | 0.004719   |            |       |  0.53
+
+Nlocal:    1000 ave 1008 max 990 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Nghost:    7665.5 ave 7675 max 7650 min
+Histogram: 1 0 0 0 0 1 0 0 0 2
+Neighs:    149308 ave 149883 max 148467 min
+Histogram: 1 0 0 0 1 0 0 0 1 1
+
+Total # of neighbors = 597231
+Ave neighs/atom = 149.308
+Neighbor list builds = 25
+Dangerous builds = 0
+
+Total wall time: 0:00:01
--- a/examples/balance/log.27Sep16.balance.neigh.static.g++.4
+++ b/examples/balance/log.27Sep16.balance.neigh.static.g++.4
@ -0,0 +1,207 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+balance		1.0 shift x 10 1.0 weight neigh 0.8 # out weighted_var.txt
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+WARNING: No suitable neighbor list found. Neighbor weighted balancing skipped (../imbalance_neigh.cpp:65)
+  rebalancing time: 0.00040102 seconds
+  iteration count = 3
+  neigh weight factor: 0.8
+  initial/final max load/proc = 1200 1000
+  initial/final imbalance factor = 1.2 1
+  x cuts: 0 0.25 0.5 0.71875 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250 post no
+Memory usage per processor = 2.77892 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358 
+      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778 
+     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606 
+     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
+     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
+Loop time of 1.42566 on 4 procs for 250 steps with 4000 atoms
+
+99.0% CPU use with 4 MPI tasks x no OpenMP threads
+balance		1.0 shift x 10 1.0 weight neigh 0.8
+  rebalancing time: 0.000426054 seconds
+  iteration count = 10
+  neigh weight factor: 0.8
+  initial/final max load/proc = 1687.06 1002.87
+  initial/final imbalance factor = 1.68662 1.0026
+  x cuts: 0 0.306885 0.452881 0.599335 1
+  y cuts: 0 1
+  z cuts: 0 1
+run             250 post no
+Memory usage per processor = 2.7999 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
+     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842 
+     350   0.55600296   -6.2801497            0   -5.4463538   -2.0394056 
+     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594 
+     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
+Loop time of 1.02512 on 4 procs for 250 steps with 4000 atoms
+
+99.4% CPU use with 4 MPI tasks x no OpenMP threads
+balance		1.0 shift x 10 1.0 weight neigh 0.8
+  rebalancing time: 0.000252008 seconds
+  iteration count = 10
+  neigh weight factor: 0.8
+  initial/final max load/proc = 1054.41 1008.56
+  initial/final imbalance factor = 1.05567 1.00976
+  x cuts: 0 0.303588 0.449887 0.597189 1
+  y cuts: 0 1
+  z cuts: 0 1
+run             250 post no
+Memory usage per processor = 2.7999 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
+     550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834 
+     600   0.54275982   -6.2616799            0   -5.4477437   -1.9939993 
+     650   0.54526651    -6.265098            0   -5.4474027   -2.0303672 
+     700   0.54369381    -6.263201            0   -5.4478642   -1.9921967 
+     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
+Loop time of 1.03672 on 4 procs for 250 steps with 4000 atoms
+
+99.5% CPU use with 4 MPI tasks x no OpenMP threads
+balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
+  rebalancing time: 0.000267982 seconds
+  iteration count = 10
+  neigh weight factor: 0.8
+  time weight factor: 0.6
+  initial/final max load/proc = 1393.27 1116.61
+  initial/final imbalance factor = 1.25201 1.0034
+  x cuts: 0 0.337163 0.448601 0.555904 1
+  y cuts: 0 1
+  z cuts: 0 1
+run             250
+Memory usage per processor = 2.7999 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
+     800   0.55061744   -6.2725556            0   -5.4468359   -2.0100922 
+     850   0.55371614   -6.2763992            0   -5.4460326   -2.0065329 
+     900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122 
+     950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278 
+    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466 
+Loop time of 1.07042 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 100895.237 tau/day, 233.554 timesteps/s
+99.3% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.56894    | 0.64706    | 0.72522    |   8.1 | 60.45
+Neigh   | 0.091286   | 0.17756    | 0.29256    |  20.9 | 16.59
+Comm    | 0.042178   | 0.23721    | 0.40194    |  31.6 | 22.16
+Output  | 0.00012493 | 0.0001505  | 0.00017571 |   0.1 |  0.01
+Modify  | 0.0016253  | 0.0032219  | 0.0054028  |   2.9 |  0.30
+Other   |            | 0.005214   |            |       |  0.49
+
+Nlocal:    1000 ave 1695 max 489 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8733.5 ave 10199 max 7650 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Neighs:    150170 ave 166473 max 132232 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 600681
+Ave neighs/atom = 150.17
+Neighbor list builds = 25
+Dangerous builds = 0
+balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
+  rebalancing time: 0.000238895 seconds
+  iteration count = 10
+  neigh weight factor: 0.8
+  time weight factor: 0.6
+  initial/final max load/proc = 1167.62 1095.43
+  initial/final imbalance factor = 1.07395 1.00755
+  x cuts: 0 0.345978 0.449963 0.551398 1
+  y cuts: 0 1
+  z cuts: 0 1
+run             250
+Memory usage per processor = 2.7999 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466 
+    1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821 
+    1100   0.55427881   -6.2781733            0    -5.446963   -2.0021027 
+    1150   0.54730654    -6.267257            0   -5.4465025   -1.9420678 
+    1200    0.5388281   -6.2547963            0   -5.4467562    -1.890178 
+    1250   0.54848768   -6.2694237            0   -5.4468979   -1.9636797 
+Loop time of 1.11596 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 96777.859 tau/day, 224.023 timesteps/s
+99.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.56315    | 0.66085    | 0.76319    |  10.9 | 59.22
+Neigh   | 0.085606   | 0.18033    | 0.29805    |  21.9 | 16.16
+Comm    | 0.044225   | 0.2661     | 0.4596     |  35.4 | 23.84
+Output  | 0.00015068 | 0.0001756  | 0.00020194 |   0.1 |  0.02
+Modify  | 0.0015557  | 0.0032289  | 0.0054245  |   3.0 |  0.29
+Other   |            | 0.005279   |            |       |  0.47
+
+Nlocal:    1000 ave 1694 max 462 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    8755.25 ave 10227 max 7675 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Neighs:    149995 ave 173733 max 125545 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 599979
+Ave neighs/atom = 149.995
+Neighbor list builds = 25
+Dangerous builds = 0
+
+Total wall time: 0:00:05
--- a/examples/balance/log.27Sep16.balance.var.dynamic.g++.2
+++ b/examples/balance/log.27Sep16.balance.var.dynamic.g++.2
@ -0,0 +1,250 @@
+LAMMPS (26 Sep 2016)
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+compute		p all property/atom d_WEIGHT
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+balance		1.0 shift x 10 1.0                 weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
+Neighbor list info ...
+  1 neighbor list requests
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65 -> bins = 7 7 7
+  rebalancing time: 0.000465155 seconds
+  iteration count = 10
+  group weights: fast=0.8 slow=2.5
+  storing weight in atom property d_WEIGHT
+  initial/final max load/proc = 2960 3120
+  initial/final imbalance factor = 1.06093 1.11828
+  x cuts: 0 0.449707 1
+  y cuts: 0 1
+  z cuts: 0 1
+variable	lastweight atom c_p
+
+fix		0 all balance 50 1.0 shift x 10 1.0                 weight var lastweight weight time 0.5 weight store WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
+Memory usage per processor = 3.23652 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039    4738.2137 
+     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885    4738.2137 
+     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162    4738.2137 
+     200     0.536665   -6.2530113            0    -5.448215    -1.933468    4738.2137 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847    4738.2137 
+     300   0.55111476   -6.2727642            0   -5.4462987   -2.0384873    4738.2137 
+     350   0.55211503    -6.274054            0   -5.4460885   -2.0116976    4738.2137 
+     400   0.54638463   -6.2661715            0   -5.4467995    -1.992248    4738.2137 
+     450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747    4738.2137 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
+Loop time of 3.69088 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 58522.605 tau/day, 135.469 timesteps/s
+99.7% CPU use with 2 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.3504     | 2.5517     | 2.7529     |  12.6 | 69.13
+Neigh   | 0.64397    | 0.73493    | 0.82589    |  10.6 | 19.91
+Comm    | 0.084433   | 0.37799    | 0.67156    |  47.7 | 10.24
+Output  | 0.00024199 | 0.00026727 | 0.00029254 |   0.2 |  0.01
+Modify  | 0.013371   | 0.014984   | 0.016598   |   1.3 |  0.41
+Other   |            | 0.01102    |            |       |  0.30
+
+Nlocal:    2000 ave 2358 max 1642 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10463 ave 11178 max 9748 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298070 ave 345748 max 250391 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596139
+Ave neighs/atom = 149.035
+Neighbor list builds = 51
+Dangerous builds = 0
+run		500
+Memory usage per processor = 3.24081 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
+     550   0.54137926   -6.2592773            0   -5.4474115   -1.9770236    4738.2137 
+     600   0.54022886   -6.2573307            0     -5.44719   -1.9619637    4738.2137 
+     650   0.54709009   -6.2678862            0   -5.4474562   -1.9958342    4738.2137 
+     700   0.54590044   -6.2656903            0   -5.4470444   -1.9957108    4738.2137 
+     750   0.55098488   -6.2724831            0   -5.4462124   -2.0287523    4738.2137 
+     800    0.5520987   -6.2739184            0   -5.4459774   -2.0084991    4738.2137 
+     850   0.54963958   -6.2702473            0    -5.445994   -1.9740031    4738.2137 
+     900   0.54390586   -6.2615476            0   -5.4458927   -1.9400871    4738.2137 
+     950   0.54741732   -6.2665755            0   -5.4456548   -1.9466417    4738.2137 
+    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
+Loop time of 4.04546 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 53393.133 tau/day, 123.595 timesteps/s
+99.4% CPU use with 2 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.0718     | 2.5709     | 3.0701     |  31.1 | 63.55
+Neigh   | 0.58891    | 0.73311    | 0.87732    |  16.8 | 18.12
+Comm    | 0.068946   | 0.71436    | 1.3598     |  76.4 | 17.66
+Output  | 0.00024986 | 0.00027978 | 0.00030971 |   0.2 |  0.01
+Modify  | 0.012742   | 0.015146   | 0.01755    |   2.0 |  0.37
+Other   |            | 0.01163    |            |       |  0.29
+
+Nlocal:    2000 ave 2384 max 1616 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10412.5 ave 11172 max 9653 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    300836 ave 358757 max 242914 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 601671
+Ave neighs/atom = 150.418
+Neighbor list builds = 51
+Dangerous builds = 0
+
+balance		1.0 shift x 10 1.0                 weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
+  rebalancing time: 0.000392914 seconds
+  iteration count = 10
+  group weights: fast=0.8 slow=2.5
+  storing weight in atom property d_WEIGHT
+  initial/final max load/proc = 3464.4 2800.6
+  initial/final imbalance factor = 1.24172 1.0038
+  x cuts: 0 0.454927 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+fix		0 all balance 50 1.0 shift x 5 1.0                 weight var lastweight weight neigh 0.5 weight store WEIGHT
+
+run             500
+Memory usage per processor = 3.24081 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
+    1050   0.54633412   -6.2656384            0   -5.4463421   -1.9012895    4738.2137 
+    1100   0.54325667   -6.2612166            0   -5.4465353   -1.8870463    4738.2137 
+    1150   0.55057583   -6.2719187            0   -5.4462614   -1.9575881    4738.2137 
+    1200   0.53728175    -6.251744            0   -5.4460228   -1.8124097    4738.2137 
+    1250   0.54077561   -6.2567544            0   -5.4457938   -1.8418134    4738.2137 
+    1300   0.54430333    -6.260995            0   -5.4447442    -1.856351    4738.2137 
+    1350   0.55097839   -6.2715909            0   -5.4453299   -1.9014337    4738.2137 
+    1400   0.53858139   -6.2526781            0    -5.445008   -1.7965773    4738.2137 
+    1450   0.54218439   -6.2574683            0    -5.444395   -1.7901189    4738.2137 
+    1500   0.54200616   -6.2571433            0   -5.4443373   -1.8000345    4738.2137 
+Loop time of 3.50707 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 61589.821 tau/day, 142.569 timesteps/s
+99.8% CPU use with 2 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.4976     | 2.5822     | 2.6669     |   5.3 | 73.63
+Neigh   | 0.69706    | 0.73285    | 0.76865    |   4.2 | 20.90
+Comm    | 0.11878    | 0.16671    | 0.21464    |  11.7 |  4.75
+Output  | 0.00026321 | 0.00028443 | 0.00030565 |   0.1 |  0.01
+Modify  | 0.013662   | 0.014432   | 0.015203   |   0.6 |  0.41
+Other   |            | 0.01054    |            |       |  0.30
+
+Nlocal:    2000 ave 2113 max 1887 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10348.5 ave 10873 max 9824 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    302958 ave 314826 max 291091 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 605917
+Ave neighs/atom = 151.479
+Neighbor list builds = 51
+Dangerous builds = 0
+run             500
+Memory usage per processor = 3.24081 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1500   0.54200616   -6.2571433            0   -5.4443373   -1.8000345    4738.2137 
+    1550    0.5371361    -6.250403            0   -5.4449003   -1.7647032    4738.2137 
+    1600   0.54679572   -6.2646443            0   -5.4446558   -1.8115723    4738.2137 
+    1650   0.53806586   -6.2519009            0   -5.4450039   -1.7409151    4738.2137 
+    1700   0.53479442   -6.2469034            0   -5.4449123   -1.7162447    4738.2137 
+    1750   0.53714075   -6.2506513            0   -5.4451416   -1.7340207    4738.2137 
+    1800   0.52750518   -6.2358818            0   -5.4448219   -1.6875359    4738.2137 
+    1850   0.54585315   -6.2629365            0   -5.4443615   -1.7758587    4738.2137 
+    1900   0.53011039    -6.238762            0   -5.4437952   -1.6381988    4738.2137 
+    1950   0.54287744   -6.2583143            0   -5.4442018   -1.7367676    4738.2137 
+    2000   0.52770954   -6.2349628            0   -5.4435964   -1.5593554    4738.2137 
+Loop time of 3.46214 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 62389.230 tau/day, 144.420 timesteps/s
+99.9% CPU use with 2 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.5495     | 2.5809     | 2.6123     |   2.0 | 74.55
+Neigh   | 0.68762    | 0.72466    | 0.7617     |   4.4 | 20.93
+Comm    | 0.12518    | 0.13173    | 0.13829    |   1.8 |  3.80
+Output  | 0.00024581 | 0.00026357 | 0.00028133 |   0.1 |  0.01
+Modify  | 0.013486   | 0.014313   | 0.015139   |   0.7 |  0.41
+Other   |            | 0.01028    |            |       |  0.30
+
+Nlocal:    2000 ave 2135 max 1865 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10311.5 ave 10838 max 9785 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    303996 ave 309135 max 298857 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 607992
+Ave neighs/atom = 151.998
+Neighbor list builds = 51
+Dangerous builds = 0
+Total wall time: 0:00:14
--- a/examples/cmap/charmm22.cmap
+++ b/examples/cmap/charmm22.cmap
--- a/examples/cmap/gagg.data
+++ b/examples/cmap/gagg.data
@ -0,0 +1,380 @@
+Created by charmm2lammps v1.8.2.6 beta on Sun Mar 20 00:26:35 EDT 2016
+
+          34  atoms
+          33  bonds
+          57  angles
+          75  dihedrals
+           7  impropers
+           2  crossterms
+
+          13  atom types
+          15  bond types
+          30  angle types
+          42  dihedral types
+           5  improper types
+
+  -34.414709    45.585291 xlo xhi
+  -36.134827    43.865173 ylo yhi
+  -39.349142    40.650858 zlo zhi
+
+Masses
+
+       1      1.008  # H
+       2      1.008  # HC
+       3      1.008  # HA
+       4      1.008  # HB
+       5     12.011  # C
+       6     12.011  # CT1
+       7     12.011  # CT2
+       8     12.011  # CT3
+       9     12.011  # CC
+      10     14.007  # NH1
+      11     14.007  # NH3
+      12     15.999  # O
+      13     15.999  # OC
+
+Pair Coeffs
+
+       1            0.046   0.400013524445            0.046   0.400013524445  # H
+       2            0.046   0.400013524445            0.046   0.400013524445  # HC
+       3            0.022    2.35197261589            0.022    2.35197261589  # HA
+       4            0.022    2.35197261589            0.022    2.35197261589  # HB
+       5             0.11    3.56359487256             0.11    3.56359487256  # C
+       6             0.02    4.05358916754             0.01    3.38541512893  # CT1
+       7            0.055    3.87540942391             0.01    3.38541512893  # CT2
+       8             0.08    3.67050271874             0.01    3.38541512893  # CT3
+       9             0.07    3.56359487256             0.07    3.56359487256  # CC
+      10              0.2    3.29632525712              0.2    2.76178602624  # NH1
+      11              0.2    3.29632525712              0.2    3.29632525712  # NH3
+      12             0.12    3.02905564168             0.12    2.49451641079  # O
+      13             0.12    3.02905564168             0.12    3.02905564168  # OC
+
+Atoms
+
+       1       1    11      -0.3     0.0088076654    -0.0395361015    -0.0125765907  # NH3
+       2       1     2      0.33    -0.3781208354    -1.0038773849      -0.01724272  # HC
+       3       1     2      0.33    -0.3448285543     0.4901827566    -0.8403800387  # HC
+       4       1     2      0.33    -0.3306420078     0.4732826156     0.8294424358  # HC
+       5       1     7      0.13      1.526230489    -0.0164860529    -0.0402820599  # CT2
+       6       1     4      0.09     1.8596639218    -0.5263587482    -0.9333647137  # HB
+       7       1     4      0.09     1.8904342902    -0.4510777655     0.8809945249  # HB
+       8       1     5      0.51     2.0135471936     1.4020233344    -0.1137107587  # C
+       9       1    12     -0.51     1.1818164992     2.2781068718     -0.313197467  # O
+      10       2    10     -0.47     3.3194424268      1.666672014     0.0713249543  # NH1
+      11       2     1      0.31     4.0409429153     0.9783582555     0.1693897169  # H
+      12       2     6      0.07     3.8529467728     3.0161771739     0.0690818527  # CT1
+      13       2     4      0.09     3.5315723829     3.5134434764    -0.8378950509  # HB
+      14       2     8     -0.27     3.3981217437     3.8178727883     1.3071600161  # CT3
+      15       2     3      0.09     2.2921877645     3.9163330652     1.3111957959  # HA
+      16       2     3      0.09     3.7142964083     3.3104118688     2.2424399743  # HA
+      17       2     3      0.09     3.8238672849     4.8446179852     1.2978564897  # HA
+      18       2     5      0.51     5.3731873136      2.946062408     0.0042414688  # C
+      19       2    12     -0.51     5.9268816775     1.8488403755     0.0011766847  # O
+      20       3    10     -0.47     6.0445386951     4.1111769168    -0.0636349698  # NH1
+      21       3     1      0.31     5.5768514013     4.9972489389    -0.0653583036  # H
+      22       3     7     -0.02     7.4911642129     4.2772062416    -0.0346088891  # CT2
+      23       3     4      0.09     7.9218377956     3.8786283786    -0.9407244447  # HB
+      24       3     4      0.09     7.8877470687     3.8607990619     0.8803359097  # HB
+      25       3     5      0.51     7.7351287723     5.7597169026    -0.0088736611  # C
+      26       3    12     -0.51     6.7657462979     6.5189223559      0.005150418  # O
+      27       4    10     -0.47     9.0014031015     6.1940849758    -0.0045995102  # NH1
+      28       4     1      0.31     9.8272711181     5.6225413025     -0.008448093  # H
+      29       4     7     -0.02     9.4067557288     7.5845263022     0.0016383819  # CT2
+      30       4     4      0.09     9.0736276253     8.0578903151     0.9119901724  # HB
+      31       4     4      0.09     9.0736165596      8.064051906    -0.9055419386  # HB
+      32       4     9      0.34    10.9382207556      7.612479283     0.0008762597  # CC
+      33       4    13     -0.67    11.5487033003     6.5062943609    -0.0007524693  # OC
+      34       4    13     -0.67    11.5055524841      8.734223435     0.0013684148  # OC
+
+Bond Coeffs
+
+       1              250             1.49  # C    CT1 
+       2              250             1.49  # C    CT2 
+       3              370            1.345  # C    NH1 
+       4              620             1.23  # C    O   
+       5              200            1.522  # CC   CT2 
+       6              525             1.26  # CC   OC  
+       7            222.5            1.538  # CT1  CT3 
+       8              330             1.08  # CT1  HB  
+       9              320             1.43  # CT1  NH1 
+      10              330             1.08  # CT2  HB  
+      11              320             1.43  # CT2  NH1 
+      12              200             1.48  # CT2  NH3 
+      13              322            1.111  # CT3  HA  
+      14              440            0.997  # H    NH1 
+      15              403             1.04  # HC   NH3 
+
+Bonds
+
+       1      15       2       1  # HC   NH3 
+       2      15       3       1  # HC   NH3 
+       3      15       4       1  # HC   NH3 
+       4      12       1       5  # CT2  NH3 
+       5       2       8       5  # C    CT2 
+       6       3       8      10  # C    NH1 
+       7      10       5       6  # CT2  HB  
+       8      10       5       7  # CT2  HB  
+       9       4       9       8  # C    O   
+      10       7      14      12  # CT1  CT3 
+      11      14      10      11  # H    NH1 
+      12       9      10      12  # CT1  NH1 
+      13       1      18      12  # C    CT1 
+      14       3      18      20  # C    NH1 
+      15       8      12      13  # CT1  HB  
+      16      13      14      15  # CT3  HA  
+      17      13      14      16  # CT3  HA  
+      18      13      14      17  # CT3  HA  
+      19       4      19      18  # C    O   
+      20      14      20      21  # H    NH1 
+      21      11      20      22  # CT2  NH1 
+      22       2      25      22  # C    CT2 
+      23       3      25      27  # C    NH1 
+      24      10      22      23  # CT2  HB  
+      25      10      22      24  # CT2  HB  
+      26       4      26      25  # C    O   
+      27      14      27      28  # H    NH1 
+      28      11      27      29  # CT2  NH1 
+      29       5      32      29  # CC   CT2 
+      30      10      29      30  # CT2  HB  
+      31      10      29      31  # CT2  HB  
+      32       6      32      34  # CC   OC  
+      33       6      32      33  # CC   OC  
+
+Angle Coeffs
+
+       1               52              108                0                0  # C    CT1  CT3 
+       2               50            109.5                0                0  # C    CT1  HB  
+       3               50              107                0                0  # C    CT1  NH1 
+       4               50            109.5                0                0  # C    CT2  HB  
+       5               50              107                0                0  # C    CT2  NH1 
+       6             43.7              110                0                0  # C    CT2  NH3 
+       7               50              120                0                0  # C    NH1  CT1 
+       8               50              120                0                0  # C    NH1  CT2 
+       9               34              123                0                0  # C    NH1  H   
+      10               50            109.5                0                0  # CC   CT2  HB  
+      11               50              107                0                0  # CC   CT2  NH1 
+      12               80            116.5                0                0  # CT1  C    NH1 
+      13               80              121                0                0  # CT1  C    O   
+      14            33.43            110.1            22.53            2.179  # CT1  CT3  HA  
+      15               35              117                0                0  # CT1  NH1  H   
+      16               80            116.5                0                0  # CT2  C    NH1 
+      17               80              121                0                0  # CT2  C    O   
+      18               40              118               50            2.388  # CT2  CC   OC  
+      19               35              117                0                0  # CT2  NH1  H   
+      20               30            109.5               20            2.074  # CT2  NH3  HC  
+      21               35              111                0                0  # CT3  CT1  HB  
+      22               70            113.5                0                0  # CT3  CT1  NH1 
+      23             35.5            108.4              5.4            1.802  # HA   CT3  HA  
+      24               48              108                0                0  # HB   CT1  NH1 
+      25               36              115                0                0  # HB   CT2  HB  
+      26               48              108                0                0  # HB   CT2  NH1 
+      27             51.5            107.5                0                0  # HB   CT2  NH3 
+      28               44            109.5                0                0  # HC   NH3  HC  
+      29               80            122.5                0                0  # NH1  C    O   
+      30              100              124               70            2.225  # OC   CC   OC  
+
+Angles
+
+       1      28       2       1       3  # HC   NH3  HC  
+       2      28       2       1       4  # HC   NH3  HC  
+       3      20       2       1       5  # CT2  NH3  HC  
+       4      28       3       1       4  # HC   NH3  HC  
+       5      20       3       1       5  # CT2  NH3  HC  
+       6      20       4       1       5  # CT2  NH3  HC  
+       7      27       1       5       6  # HB   CT2  NH3 
+       8      27       1       5       7  # HB   CT2  NH3 
+       9       6       1       5       8  # C    CT2  NH3 
+      10      25       6       5       7  # HB   CT2  HB  
+      11       4       6       5       8  # C    CT2  HB  
+      12       4       7       5       8  # C    CT2  HB  
+      13      17       5       8       9  # CT2  C    O   
+      14      16       5       8      10  # CT2  C    NH1 
+      15      29       9       8      10  # NH1  C    O   
+      16       9       8      10      11  # C    NH1  H   
+      17       7       8      10      12  # C    NH1  CT1 
+      18      15      11      10      12  # CT1  NH1  H   
+      19      24      10      12      13  # HB   CT1  NH1 
+      20      22      10      12      14  # CT3  CT1  NH1 
+      21       3      10      12      18  # C    CT1  NH1 
+      22      21      13      12      14  # CT3  CT1  HB  
+      23       2      13      12      18  # C    CT1  HB  
+      24       1      14      12      18  # C    CT1  CT3 
+      25      14      12      14      15  # CT1  CT3  HA  
+      26      14      12      14      16  # CT1  CT3  HA  
+      27      14      12      14      17  # CT1  CT3  HA  
+      28      23      15      14      16  # HA   CT3  HA  
+      29      23      15      14      17  # HA   CT3  HA  
+      30      23      16      14      17  # HA   CT3  HA  
+      31      13      12      18      19  # CT1  C    O   
+      32      12      12      18      20  # CT1  C    NH1 
+      33      29      19      18      20  # NH1  C    O   
+      34       9      18      20      21  # C    NH1  H   
+      35       8      18      20      22  # C    NH1  CT2 
+      36      19      21      20      22  # CT2  NH1  H   
+      37      26      20      22      23  # HB   CT2  NH1 
+      38      26      20      22      24  # HB   CT2  NH1 
+      39       5      20      22      25  # C    CT2  NH1 
+      40      25      23      22      24  # HB   CT2  HB  
+      41       4      23      22      25  # C    CT2  HB  
+      42       4      24      22      25  # C    CT2  HB  
+      43      17      22      25      26  # CT2  C    O   
+      44      16      22      25      27  # CT2  C    NH1 
+      45      29      26      25      27  # NH1  C    O   
+      46       9      25      27      28  # C    NH1  H   
+      47       8      25      27      29  # C    NH1  CT2 
+      48      19      28      27      29  # CT2  NH1  H   
+      49      26      27      29      30  # HB   CT2  NH1 
+      50      26      27      29      31  # HB   CT2  NH1 
+      51      11      27      29      32  # CC   CT2  NH1 
+      52      25      30      29      31  # HB   CT2  HB  
+      53      10      30      29      32  # CC   CT2  HB  
+      54      10      31      29      32  # CC   CT2  HB  
+      55      18      29      32      33  # CT2  CC   OC  
+      56      18      29      32      34  # CT2  CC   OC  
+      57      30      33      32      34  # OC   CC   OC  
+
+Dihedral Coeffs
+
+       1              0.2                3                0                1  # C    CT1  CT3  HA  
+       2              0.2                1              180                1  # C    CT1  NH1  C   
+       3                0                1                0                1  # C    CT1  NH1  H   
+       4              0.2                1              180                1  # C    CT2  NH1  C   
+       5                0                1                0                1  # C    CT2  NH1  H   
+       6              0.1                3                0                1  # C    CT2  NH3  HC  
+       7              1.8                1                0                1  # C    NH1  CT1  CT3 
+       8                0                1                0                1  # C    NH1  CT1  HB  
+       9              0.2                1              180                1  # C    NH1  CT2  CC  
+      10                0                1                0                1  # C    NH1  CT2  HB  
+      11                0                1                0                1  # CC   CT2  NH1  H   
+      12              1.6                1                0                1  # CT1  C    NH1  CT2 
+      13              2.5                2              180                0  # CT1  C    NH1  CT2 
+      14              2.5                2              180                1  # CT1  C    NH1  H   
+      15              1.6                1                0                1  # CT1  NH1  C    CT2 
+      16              2.5                2              180                0  # CT1  NH1  C    CT2 
+      17              2.5                2              180                1  # CT1  NH1  C    O   
+      18              1.6                1                0                1  # CT2  C    NH1  CT2 
+      19              2.5                2              180                0  # CT2  C    NH1  CT2 
+      20              2.5                2              180                1  # CT2  C    NH1  H   
+      21              2.5                2              180                1  # CT2  NH1  C    O   
+      22                0                1                0                1  # CT3  CT1  C    NH1 
+      23              1.4                1                0                1  # CT3  CT1  C    O   
+      24                0                1                0                1  # CT3  CT1  NH1  H   
+      25              2.5                2              180                1  # H    NH1  C    O   
+      26                0                1                0                1  # H    NH1  CT1  HB  
+      27                0                1                0                1  # H    NH1  CT2  HB  
+      28              0.2                3                0                1  # HA   CT3  CT1  HB  
+      29              0.2                3                0                1  # HA   CT3  CT1  NH1 
+      30                0                1                0                1  # HB   CT1  C    NH1 
+      31                0                1                0                1  # HB   CT1  C    O   
+      32                0                1                0                1  # HB   CT2  C    NH1 
+      33                0                1                0                1  # HB   CT2  C    O   
+      34             0.05                6              180                1  # HB   CT2  CC   OC  
+      35              0.1                3                0                1  # HB   CT2  NH3  HC  
+      36              0.6                1                0                1  # NH1  C    CT1  NH1 
+      37              0.6                1                0                1  # NH1  C    CT2  NH1 
+      38              0.4                1                0                1  # NH1  C    CT2  NH3 
+      39                0                1                0                1  # NH1  CT1  C    O   
+      40                0                1                0                1  # NH1  CT2  C    O   
+      41             0.05                6              180                1  # NH1  CT2  CC   OC  
+      42                0                1                0                1  # NH3  CT2  C    O   
+
+Dihedrals
+
+       1      42       1       5       8       9  # NH3  CT2  C    O   
+       2      38       1       5       8      10  # NH1  C    CT2  NH3 
+       3      35       2       1       5       6  # HB   CT2  NH3  HC  
+       4      35       2       1       5       7  # HB   CT2  NH3  HC  
+       5       6       2       1       5       8  # C    CT2  NH3  HC  
+       6      35       3       1       5       6  # HB   CT2  NH3  HC  
+       7      35       3       1       5       7  # HB   CT2  NH3  HC  
+       8       6       3       1       5       8  # C    CT2  NH3  HC  
+       9      35       4       1       5       6  # HB   CT2  NH3  HC  
+      10      35       4       1       5       7  # HB   CT2  NH3  HC  
+      11       6       4       1       5       8  # C    CT2  NH3  HC  
+      12      20       5       8      10      11  # CT2  C    NH1  H   
+      13      15       5       8      10      12  # CT1  NH1  C    CT2 
+      14      16       5       8      10      12  # CT1  NH1  C    CT2 
+      15      33       6       5       8       9  # HB   CT2  C    O   
+      16      32       6       5       8      10  # HB   CT2  C    NH1 
+      17      33       7       5       8       9  # HB   CT2  C    O   
+      18      32       7       5       8      10  # HB   CT2  C    NH1 
+      19       8       8      10      12      13  # C    NH1  CT1  HB  
+      20       7       8      10      12      14  # C    NH1  CT1  CT3 
+      21       2       8      10      12      18  # C    CT1  NH1  C   
+      22      25       9       8      10      11  # H    NH1  C    O   
+      23      17       9       8      10      12  # CT1  NH1  C    O   
+      24      29      10      12      14      15  # HA   CT3  CT1  NH1 
+      25      29      10      12      14      16  # HA   CT3  CT1  NH1 
+      26      29      10      12      14      17  # HA   CT3  CT1  NH1 
+      27      39      10      12      18      19  # NH1  CT1  C    O   
+      28      36      10      12      18      20  # NH1  C    CT1  NH1 
+      29      26      11      10      12      13  # H    NH1  CT1  HB  
+      30      24      11      10      12      14  # CT3  CT1  NH1  H   
+      31       3      11      10      12      18  # C    CT1  NH1  H   
+      32      14      12      18      20      21  # CT1  C    NH1  H   
+      33      12      12      18      20      22  # CT1  C    NH1  CT2 
+      34      13      12      18      20      22  # CT1  C    NH1  CT2 
+      35      28      13      12      14      15  # HA   CT3  CT1  HB  
+      36      28      13      12      14      16  # HA   CT3  CT1  HB  
+      37      28      13      12      14      17  # HA   CT3  CT1  HB  
+      38      31      13      12      18      19  # HB   CT1  C    O   
+      39      30      13      12      18      20  # HB   CT1  C    NH1 
+      40      23      14      12      18      19  # CT3  CT1  C    O   
+      41      22      14      12      18      20  # CT3  CT1  C    NH1 
+      42       1      15      14      12      18  # C    CT1  CT3  HA  
+      43       1      16      14      12      18  # C    CT1  CT3  HA  
+      44       1      17      14      12      18  # C    CT1  CT3  HA  
+      45      10      18      20      22      23  # C    NH1  CT2  HB  
+      46      10      18      20      22      24  # C    NH1  CT2  HB  
+      47       4      18      20      22      25  # C    CT2  NH1  C   
+      48      25      19      18      20      21  # H    NH1  C    O   
+      49      21      19      18      20      22  # CT2  NH1  C    O   
+      50      40      20      22      25      26  # NH1  CT2  C    O   
+      51      37      20      22      25      27  # NH1  C    CT2  NH1 
+      52      27      21      20      22      23  # H    NH1  CT2  HB  
+      53      27      21      20      22      24  # H    NH1  CT2  HB  
+      54       5      21      20      22      25  # C    CT2  NH1  H   
+      55      20      22      25      27      28  # CT2  C    NH1  H   
+      56      18      22      25      27      29  # CT2  C    NH1  CT2 
+      57      19      22      25      27      29  # CT2  C    NH1  CT2 
+      58      33      23      22      25      26  # HB   CT2  C    O   
+      59      32      23      22      25      27  # HB   CT2  C    NH1 
+      60      33      24      22      25      26  # HB   CT2  C    O   
+      61      32      24      22      25      27  # HB   CT2  C    NH1 
+      62      10      25      27      29      30  # C    NH1  CT2  HB  
+      63      10      25      27      29      31  # C    NH1  CT2  HB  
+      64       9      25      27      29      32  # C    NH1  CT2  CC  
+      65      25      26      25      27      28  # H    NH1  C    O   
+      66      21      26      25      27      29  # CT2  NH1  C    O   
+      67      41      27      29      32      33  # NH1  CT2  CC   OC  
+      68      41      27      29      32      34  # NH1  CT2  CC   OC  
+      69      27      28      27      29      30  # H    NH1  CT2  HB  
+      70      27      28      27      29      31  # H    NH1  CT2  HB  
+      71      11      28      27      29      32  # CC   CT2  NH1  H   
+      72      34      30      29      32      33  # HB   CT2  CC   OC  
+      73      34      30      29      32      34  # HB   CT2  CC   OC  
+      74      34      31      29      32      33  # HB   CT2  CC   OC  
+      75      34      31      29      32      34  # HB   CT2  CC   OC  
+
+Improper Coeffs
+
+       1              120                0  # C    CT1  NH1  O   
+       2              120                0  # C    CT2  NH1  O   
+       3               96                0  # CC   CT2  OC   OC  
+       4               20                0  # H    CT1  C    NH1 
+       5               20                0  # H    CT2  C    NH1 
+
+Impropers
+
+       1       2       8       5      10       9  # C    CT2  NH1  O   
+       2       4      10       8      12      11  # H    CT1  C    NH1 
+       3       1      18      12      20      19  # C    CT1  NH1  O   
+       4       5      20      18      22      21  # H    CT2  C    NH1 
+       5       2      25      22      27      26  # C    CT2  NH1  O   
+       6       5      27      25      29      28  # H    CT2  C    NH1 
+       7       3      32      29      34      33  # CC   CT2  OC   OC  
+
+CMAP
+
+       1       1       8      10      12      18      20
+       2       5      18      20      22      25      27
--- a/examples/cmap/in.cmap
+++ b/examples/cmap/in.cmap
@ -0,0 +1,36 @@
+# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
+
+units           real
+neigh_modify    delay 2 every 1
+#newton          off
+
+boundary        p p p
+
+atom_style      full
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+
+pair_style      lj/charmm/coul/charmm 8 12
+#pair_style      lj/charmmfsw/coul/charmmfsh 8 12
+pair_modify     mix arithmetic
+
+fix             cmap all cmap charmm22.cmap
+fix_modify      cmap energy yes
+
+read_data       gagg.data fix cmap crossterm CMAP
+
+special_bonds   charmm
+fix             1 all nve
+
+#fix             1 all nvt temp 300 300 100.0
+#fix             2 all shake 1e-9 500 0 m 1.0
+
+velocity        all create 0.0 12345678 dist uniform
+
+thermo          1000
+thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
+timestep        2.0
+
+run             100000
--- a/examples/cmap/log.23Sep16.cmap.g++.1
+++ b/examples/cmap/log.23Sep16.cmap.g++.1
@ -0,0 +1,200 @@
+LAMMPS (21 Sep 2016)
+# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
+
+units           real
+neigh_modify    delay 2 every 1
+#newton          off
+
+boundary        p p p
+
+atom_style      full
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+
+pair_style      lj/charmm/coul/charmm 8 12
+#pair_style      lj/charmmfsw/coul/charmmfsh 8 12
+pair_modify     mix arithmetic
+
+fix             cmap all cmap charmm22.cmap
+fix_modify      cmap energy yes
+
+read_data       gagg.data fix cmap crossterm CMAP
+  orthogonal box = (-34.4147 -36.1348 -39.3491) to (45.5853 43.8652 40.6509)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  34 atoms
+  scanning bonds ...
+  4 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  12 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  33 bonds
+  reading angles ...
+  57 angles
+  reading dihedrals ...
+  75 dihedrals
+  reading impropers ...
+  7 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  13 = max # of 1-4 neighbors
+  16 = max # of special neighbors
+
+special_bonds   charmm
+fix             1 all nve
+
+#fix             1 all nvt temp 300 300 100.0
+#fix             2 all shake 1e-9 500 0 m 1.0
+
+velocity        all create 0.0 12345678 dist uniform
+
+thermo          1000
+thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
+timestep        2.0
+
+run             100000
+Neighbor list info ...
+  1 neighbor list requests
+  update every 1 steps, delay 2 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7 -> bins = 12 12 12
+Memory usage per processor = 14.6355 Mbytes
+Step E_coul E_vdwl E_bond E_angle E_dihed f_cmap E_impro 
+       0    26.542777  -0.93822087    1.2470497    4.8441789    4.5432816    -1.473352   0.10453023 
+    1000    28.673005  -0.47724367   0.80029132     3.151679    4.4684446   -2.3928648   0.18604953 
+    2000     27.67955    -1.170342   0.72018905    4.0400131    4.4713764   -2.5490207   0.21834436 
+    3000    29.256656  -0.35856055   0.73303546    3.7411606    4.4710568   -2.8939692   0.37728884 
+    4000    30.097549   -1.1353905   0.79007053    3.0688444    4.4091469   -2.3383587   0.20743631 
+    5000    28.357525   -1.0723742    0.9180297    3.6579424    4.8792664   -2.3185572  0.088366962 
+    6000    29.214175  -0.95299225   0.81926009    3.6805429    4.6742897   -2.9343577   0.26697813 
+    7000    27.018614  -0.52423475   0.72502764    3.8840137    4.7780956   -2.3916009   0.24952584 
+    8000    29.682167   -1.0939711   0.76111486    3.1090116    4.9359719   -2.5662984    0.1411154 
+    9000    27.909695  -0.80905986   0.78952533     4.203187    4.1301204    -2.000402  0.088859259 
+   10000    27.480298  -0.86273377    1.1293962    4.3857421     4.899282   -3.3895621   0.12126215 
+   11000    28.303203   -1.0221152   0.62762348     4.055414    4.5863024   -2.5842816   0.17996907 
+   12000    28.311127  -0.94227367   0.91859012    3.6673926    4.7018632    -3.902715   0.30065704 
+   13000    30.818607   -1.5220116   0.95710386    3.3364371     4.543427   -3.0423067   0.16712905 
+   14000    27.643736   -1.0144117   0.95806952    4.1046912     4.800236   -4.0534389   0.29293405 
+   15000    27.660491   -1.0390086   0.78061056    4.1139174    4.7197202   -2.3670379   0.22126985 
+   16000    27.845157  -0.63654502   0.78007478    3.9365994     4.949418   -3.1470214   0.22335355 
+   17000     28.44772   -1.0255112   0.70402007    4.0573343    4.2887527   -2.2099596  0.048050962 
+   18000    27.128323  -0.96218536    1.1327159    4.3222585     4.326607   -2.2881766   0.13491257 
+   19000    27.337633  -0.78999574   0.80152298    4.2239689    4.7073478   -2.2924164   0.12710292 
+   20000    27.780537  -0.46458072   0.79707671    3.7232618     4.943417   -2.5290628   0.26191223 
+   21000    26.435484   -0.7803224    1.0753217    4.4196051    5.9945933   -2.3340925   0.16448475 
+   22000    28.619429   -1.1623149    0.9401731    3.8508844    5.1636737   -2.5551846   0.25318434 
+   23000    28.399338  -0.79700962   0.85575503     4.488526    4.5975422   -2.5663549   0.13601693 
+   24000    29.645532    -1.158744   0.83180313    3.8193399      4.60319   -2.6847864   0.24260466 
+   25000    28.695339   -1.4802204   0.76583757    3.6786272    4.8959496   -2.3627896  0.080867326 
+   26000    28.149711    -1.029689   0.79383806    3.7885067    4.3345813   -2.1041553   0.14598209 
+   27000    29.580373   -1.0525813    1.0262723    3.7767318    4.6119758   -2.2802386  0.088556038 
+   28000     28.44308  -0.93411225    0.8794395     3.948079     4.780246   -2.1814583   0.14340149 
+   29000    29.335621   -1.6087988   0.71803091    3.7819186    4.6688385   -2.4282242   0.16061111 
+   30000    28.706138   -1.3938241   0.67713818     4.031275    4.4756505   -2.1807056   0.11461356 
+   31000    27.451944  0.010297225   0.65064883    3.6402029    4.3607811   -2.5511516   0.12637237 
+   32000    27.070878    -1.103158    1.1932199    5.1329709    4.5201653   -2.2224479   0.11215427 
+   33000    29.889976   -1.6228316   0.69407996    3.5361991    4.3502767   -1.9847454   0.09089949 
+   34000    28.223151    -0.927208     1.043253    3.4650939    5.1028142   -2.8127219   0.10648823 
+   35000    27.985986  -0.48153861   0.63878449    3.3724641    4.9551679   -2.6565919   0.12123115 
+   36000    28.580688   -1.4500694     1.055762    4.0490064     4.423782   -2.3103578  0.072747638 
+   37000    29.192947  -0.49678176    1.1146731    2.9233947    4.5738603   -2.4376144   0.22874047 
+   38000    26.954594  -0.53812359   0.79230685    4.3356989    5.0284656   -2.3791255    0.0486081 
+   39000    27.567555  -0.57870028   0.73614374     4.191991    4.9209556   -2.6122044   0.08635571 
+   40000    28.494172  -0.79057135   0.79072816    4.1893209    4.4826919   -2.4179635   0.14612898 
+   41000     28.44904   -1.1002948   0.93405654    4.3586358    4.4338415   -2.2950944   0.15705834 
+   42000     28.95725   -1.0297067    1.1632348     4.274711    4.9979487   -2.7611464   0.15944725 
+   43000    28.640394  -0.70938882   0.68100893    3.1844315    5.1817454   -2.2837487   0.14189233 
+   44000    27.997558   -1.0115099   0.59125208    4.0883422    4.6033907   -2.2775964  0.094273258 
+   45000     27.67163  -0.67992747    1.1225552    3.9020703    4.8171056   -2.1952679  0.041418433 
+   46000    28.822607   -0.6687953   0.74160059    3.3193715    4.5546965   -2.3024572  0.047569065 
+   47000     29.20147   -1.4456785   0.79223353    3.8288813    4.5811826   -2.5154936  0.061230141 
+   48000    27.843026   -1.0222301   0.87322137    4.3432743    4.4266307   -2.1414153   0.06802794 
+   49000    28.199573   -1.1887794    1.2781088    4.0779644    4.5881353    -2.319775  0.094803547 
+   50000    28.759212    -1.354416   0.68534569    3.8394841    4.2308134   -2.1281844    0.1395951 
+   51000    27.876455   -1.5705462   0.76557156    4.5335223     4.523708    -2.203702   0.14679803 
+   52000    27.930587   -1.2277489   0.96071516     3.960953    5.1152188   -2.4101451  0.060949521 
+   53000    27.031236   -1.4746477    1.2341141    5.0540975    4.3656865   -2.1288513  0.092725656 
+   54000    28.809394   -1.1162427   0.94350207    3.4013958    4.4755547   -2.3342811   0.18855912 
+   55000    28.948415   -1.1560418    0.6260139    3.5386373    4.5244978    -2.340212   0.17474657 
+   56000    28.048368  -0.95784532   0.76432571    4.1404665    4.4570033   -2.0899628  0.045693628 
+   57000    28.707642    -1.366574    0.9907873     3.729903    4.3131997   -2.2777698  0.065420213 
+   58000    26.361663   -1.0424403    1.0452563    5.0977108    4.7035231   -2.3101244   0.13671642 
+   59000    29.218218   -1.2210564   0.62435875    3.4236327    4.5481681   -2.1575943  0.037984042 
+   60000    27.655546   -1.1053224   0.86323501    3.7641375    4.8946898   -2.2422249  0.077725979 
+   61000    27.252108   -1.3744824    1.1150806    5.0444848    4.4878135   -2.2743829  0.058331257 
+   62000    27.163469   -1.1715781   0.72099321    4.5295501    4.9509918   -2.2993961  0.050401105 
+   63000    29.581575   -1.2238537   0.86303245    3.1194038    5.2218965   -2.5002427  0.055032632 
+   64000    27.897822   -1.1011516   0.74540883    4.2869228    4.3394269   -2.2552393    0.1403321 
+   65000    27.083245   -1.0633392   0.92771724    5.0805224    4.2747962   -2.2388039  0.064196692 
+   66000    29.072723   -1.5514209   0.89798805    4.2600224    4.4261812   -2.3524752   0.15067414 
+   67000    27.308181  -0.72224802   0.97109517    4.5074578    4.4559352   -2.1381121  0.089297603 
+   68000    27.505686  -0.43855431   0.80785812    4.1917251    5.0157721   -2.3382145   0.11105164 
+   69000    29.041681  -0.64735378   0.89874684    3.3891579    4.3753361   -2.2320941   0.14716747 
+   70000    29.735756   -1.7061457    0.9206878    3.5767878    4.3851664   -2.2516304  0.097196062 
+   71000    28.224352  -0.92217702   0.86093586    3.9507157    4.5596589   -2.2173397  0.089116669 
+   72000    29.282336    -1.056142   0.65185725    3.8735742    4.4839333   -2.4314756  0.071909704 
+   73000    26.257283  -0.64273826   0.98300685     5.063943     5.045958   -2.5544375    0.2180275 
+   74000    28.825119  -0.97736616   0.87201848      3.55875    4.3653309   -2.2303567  0.098963875 
+   75000    29.239507  -0.96508809   0.74517323    3.4306236    4.7651921   -2.6077732   0.17883654 
+   76000    27.349841  -0.50990238    1.1183613    4.4252451    4.4097775   -2.4125794   0.18483606 
+   77000    28.130197   -1.4081219   0.94921357    4.2572132    4.5162849   -2.4013797  0.073744606 
+   78000    28.235774   -0.9214321    0.6324981    3.8697686    4.8092154   -2.2272847  0.092108346 
+   79000    26.732846  -0.55949486    1.0989617    5.0088609    4.4930687    -2.277945   0.03855146 
+   80000    28.529208  -0.94244671   0.79407482     3.961106    4.3930011   -2.3127726  0.091124948 
+   81000    29.603852   -1.6116062     1.060847    3.7824932     4.151001   -1.9139868   0.19875986 
+   82000    28.232876   -1.1833011    1.0182713    3.4195758    5.1394333   -2.4632697   0.28501012 
+   83000    29.565482   -1.3479552   0.99056973    3.7851802    4.4781011   -2.7872481    0.2031991 
+   84000    28.780274   -1.3073882    1.0512637     4.004638     4.502282   -2.3789146  0.015656202 
+   85000    27.262312   -1.1305346     1.203524    4.7938623    4.1747105   -2.0952844  0.054240361 
+   86000    28.157348   -1.0662817   0.81163796    3.9912709    4.8320213    -2.255237   0.14698333 
+   87000    28.445543   -1.3365026   0.78156195    4.4767689    4.4457575   -2.5008786   0.13879386 
+   88000    27.656717   -1.1490599   0.87974869    4.4629952    4.7023033   -2.3258145  0.081904139 
+   89000    28.838821    -1.020709   0.85587929    3.7110705    4.4938307   -2.4914483   0.11447952 
+   90000    27.356497  -0.59107077   0.81879666    4.5209332    4.4703836   -2.3806717  0.071307775 
+   91000    27.780445  -0.80564513   0.94752313    3.8468943    4.2924253   -2.1011134    0.1118672 
+   92000    28.555276   -1.3514732   0.80826674    3.9590742    4.5775954   -2.4891232  0.054254978 
+   93000    28.747267   -1.2133243   0.75507246    4.1319789    4.9048611   -2.4913887   0.13045693 
+   94000    27.479343  -0.69973695   0.99696121    3.5966229     4.549025   -2.4155312   0.41745762 
+   95000    27.726945   -1.1905026    1.1120842    4.7433275    4.5386861   -2.7947142   0.33671682 
+   96000    28.021114   -1.0341645    0.6663033    4.2397505    4.6203984   -1.9904034   0.10972565 
+   97000    28.382022   -1.3916008     1.180588    4.0729621    4.6741792    -2.554927   0.13462346 
+   98000    27.895969   -0.7496449    1.3072185    4.2611888    4.3726077   -2.1320701   0.15376665 
+   99000    28.517889   -1.2183957     1.279778     3.957647    4.2638434   -2.2888407  0.042705003 
+  100000    28.109211   -1.2538948   0.83671785    4.3734766     4.544545   -2.3076497  0.042189096 
+Loop time of 2.96683 on 1 procs for 100000 steps with 34 atoms
+
+Performance: 5824.390 ns/day, 0.004 hours/ns, 33705.963 timesteps/s
+100.0% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.98759    | 0.98759    | 0.98759    |   0.0 | 33.29
+Bond    | 1.6463     | 1.6463     | 1.6463     |   0.0 | 55.49
+Neigh   | 0.007688   | 0.007688   | 0.007688   |   0.0 |  0.26
+Comm    | 0.012214   | 0.012214   | 0.012214   |   0.0 |  0.41
+Output  | 0.0010295  | 0.0010295  | 0.0010295  |   0.0 |  0.03
+Modify  | 0.25684    | 0.25684    | 0.25684    |   0.0 |  8.66
+Other   |            | 0.05519    |            |       |  1.86
+
+Nlocal:    34 ave 34 max 34 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    395 ave 395 max 395 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 395
+Ave neighs/atom = 11.6176
+Ave special neighs/atom = 9.52941
+Neighbor list builds = 237
+Dangerous builds = 0
+Total wall time: 0:00:02
--- a/examples/cmap/log.23Sep16.cmap.g++.4
+++ b/examples/cmap/log.23Sep16.cmap.g++.4
@ -0,0 +1,200 @@
+LAMMPS (21 Sep 2016)
+# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
+
+units           real
+neigh_modify    delay 2 every 1
+#newton          off
+
+boundary        p p p
+
+atom_style      full
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+
+pair_style      lj/charmm/coul/charmm 8 12
+#pair_style      lj/charmmfsw/coul/charmmfsh 8 12
+pair_modify     mix arithmetic
+
+fix             cmap all cmap charmm22.cmap
+fix_modify      cmap energy yes
+
+read_data       gagg.data fix cmap crossterm CMAP
+  orthogonal box = (-34.4147 -36.1348 -39.3491) to (45.5853 43.8652 40.6509)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  34 atoms
+  scanning bonds ...
+  4 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  12 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  33 bonds
+  reading angles ...
+  57 angles
+  reading dihedrals ...
+  75 dihedrals
+  reading impropers ...
+  7 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  13 = max # of 1-4 neighbors
+  16 = max # of special neighbors
+
+special_bonds   charmm
+fix             1 all nve
+
+#fix             1 all nvt temp 300 300 100.0
+#fix             2 all shake 1e-9 500 0 m 1.0
+
+velocity        all create 0.0 12345678 dist uniform
+
+thermo          1000
+thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
+timestep        2.0
+
+run             100000
+Neighbor list info ...
+  1 neighbor list requests
+  update every 1 steps, delay 2 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7 -> bins = 12 12 12
+Memory usage per processor = 15.9307 Mbytes
+Step E_coul E_vdwl E_bond E_angle E_dihed f_cmap E_impro 
+       0    26.542777  -0.93822087    1.2470497    4.8441789    4.5432816    -1.473352   0.10453023 
+    1000    28.673005  -0.47724367   0.80029132     3.151679    4.4684446   -2.3928648   0.18604953 
+    2000     27.67955    -1.170342   0.72018905    4.0400131    4.4713764   -2.5490207   0.21834436 
+    3000    29.256656  -0.35856055   0.73303546    3.7411606    4.4710568   -2.8939692   0.37728884 
+    4000    30.097549   -1.1353905   0.79007053    3.0688444    4.4091469   -2.3383587   0.20743631 
+    5000    28.357525   -1.0723742    0.9180297    3.6579424    4.8792663   -2.3185572  0.088366962 
+    6000    29.214175  -0.95299239   0.81926011    3.6805428    4.6742897   -2.9343578   0.26697816 
+    7000    27.018614  -0.52423469   0.72502751    3.8840141    4.7780958   -2.3916014   0.24952572 
+    8000    29.682494   -1.0940368   0.76113051    3.1089345    4.9357863   -2.5662256   0.14112613 
+    9000    27.853918   -0.7913741   0.79503268    4.2177256     4.146792     -2.00475  0.090585666 
+   10000     27.13754  -0.80551128    1.1325023    4.4718283    5.2460631   -3.4947725   0.11893125 
+   11000    28.277434   -1.4897448   0.90075953    4.1895717    4.3594269   -1.9553119  0.090222212 
+   12000    28.630973    -1.222206   0.67796385    3.3905661    4.9691334   -2.9052721   0.13897658 
+   13000    28.593007  -0.95684026   0.75585196    3.7242568    4.7417932   -2.3893117    0.2074121 
+   14000    26.147115   -0.6026921   0.93591488    5.1292829    4.9821952   -2.2571835   0.11872421 
+   15000     26.29432  -0.82424162     1.048979    4.5569495    5.1189308   -2.9750422   0.16195676 
+   16000    29.189992  -0.80998247   0.74093508    3.8299275    4.4536688   -2.5497538   0.19155639 
+   17000    25.878012   -0.3519646    1.0988924    4.7359591    5.3923098   -2.7211029   0.13405223 
+   18000    27.726135  -0.28229987   0.63072344    4.1777888    4.7237271   -2.2177157   0.15939372 
+   19000    27.153504  -0.66477422   0.77910129    4.2036117     5.113851   -2.3494315  0.094793307 
+   20000    28.044833   -1.2835827   0.88745367    3.9955526    4.5077788   -3.0116467   0.17197859 
+   21000    27.205696  -0.74090037    1.0023251    4.3421733     4.912671   -2.3473271   0.26089356 
+   22000    27.385785  -0.93740972   0.84554838     4.562743     4.883866   -2.2110955   0.11573301 
+   23000     27.05534  -0.95605442   0.96719024    3.9277618    5.0359014   -2.6135949   0.21368061 
+   24000    28.273378  -0.97543103    0.8983443    4.2067985    4.4782971   -2.4230505   0.30311692 
+   25000    27.477789  -0.20383849    0.8380706    3.8037992    4.8312504   -2.5831791  0.093843746 
+   26000    30.344199   -1.9773473   0.92882437    3.7821405    4.5176677   -2.3020968    0.2194307 
+   27000     27.32767   -0.9803839   0.92988865    3.7611603    5.0328211   -2.4647656   0.18213622 
+   28000     27.34208    -1.037938   0.74488346    4.1727342    4.7056812   -2.2718346   0.17741362 
+   29000    27.682777  -0.51006495   0.57074224    4.7332237    4.7080462   -2.0491512    0.2130517 
+   30000    24.925731   0.13670248   0.84976065    4.4143762    6.0677158   -3.5479173   0.28059419 
+   31000    28.623419  -0.90725708    1.0710501    3.6930688    4.6639301   -2.2225373   0.20988139 
+   32000    27.732286   -1.1948367   0.89230134    4.4398373    4.8923907   -3.5849327   0.49167488 
+   33000    28.800772   -1.5319589   0.93455495    4.1634728    4.6107706   -2.3503486   0.22636535 
+   34000    27.374398   -1.0957453   0.89450276    3.9829508     4.991786   -2.3548834   0.15869465 
+   35000     28.38753  -0.89261166   0.90000776     3.536864    4.4293294   -2.4218118   0.10640557 
+   36000    27.713974  0.088038031   0.85190574    3.8969601    4.6256355   -2.7935475   0.34671662 
+   37000     29.13007    -1.378597   0.74412556     3.131538    4.6458653   -2.9373734   0.38035616 
+   38000    28.556573   -1.4055344     1.139984    4.0035753    4.2938358    -2.489329   0.25338326 
+   39000    26.447036   -1.1829705   0.87032438    5.0804461    4.5772023   -2.7346466   0.32165802 
+   40000    27.991454  -0.64295679   0.61020872     4.165871    4.4623087   -2.2244194   0.13826991 
+   41000    29.483296   -1.2400745   0.66926627    3.3473666    4.5766617   -2.3051145   0.12171554 
+   42000    26.948627   -1.2162288    1.1440628    4.3993073    5.1176533   -2.4734485   0.15497709 
+   43000     28.04459  -0.26543193   0.83647367    3.5160747    4.6964397   -2.2805068   0.12618821 
+   44000    28.213608    -1.216128    0.9132792    4.0206483    4.9483599   -2.3387049   0.10132022 
+   45000    28.283506   -1.0390766   0.86113772     4.504509    4.7209088   -2.3043085   0.14588362 
+   46000    27.433853  -0.57912107   0.78448334    4.5998579    5.1181394   -2.6165094   0.18722528 
+   47000    27.552939   -1.1128925   0.80087638    4.3448001    4.8062869   -2.4296883    0.2702479 
+   48000    28.874034   -1.3242519   0.71770727    3.5648565    4.4671824   -2.2608958   0.16115978 
+   49000    29.216186   -1.2210307   0.76937497    3.9260628    4.7550577   -2.7316081  0.085505664 
+   50000    28.065856   -1.1545547   0.86953819    4.4137666     4.732157   -2.4450867   0.23320539 
+   51000    26.308975  -0.99728352   0.90408444    4.2400186    5.6340425   -2.2090554  0.079882158 
+   52000    28.517571   -1.5027398   0.83520278    3.8176552    4.3001251   -2.0731682    0.1665375 
+   53000     28.77579   -1.3564268   0.97253881    3.6866407    4.8532347   -2.5330776   0.17668411 
+   54000    29.135315   -1.0994106   0.67605671    3.6819254    4.3134408   -1.9796929  0.076951331 
+   55000    26.168938  -0.76247492   0.88784685    4.6533473    6.0484793   -2.1334561  0.036876985 
+   56000    27.471775  -0.68648837    1.0576168    4.0354311    4.4767052   -2.2368959   0.24950568 
+   57000    29.787083   -1.4914384    1.0702944    3.5388133    4.5173097   -2.6694464   0.27937092 
+   58000    28.705448   -1.3016617   0.63337853    3.9552713    4.4119825   -1.8774657   0.17540021 
+   59000    29.130155  -0.91647363   0.84384883    3.1076903    4.5346348   -2.3457338   0.16674486 
+   60000    26.874199  -0.81598034    1.3432151    5.1322624    4.9545484   -2.9566615   0.25950486 
+   61000    27.401306  -0.82895856    1.1636949     4.020154    4.5745928    -2.601466   0.18061051 
+   62000    28.930313   -1.5231967   0.85173243    4.3517328    4.4878662   -2.5859205    0.1755493 
+   63000     26.56874  0.026147233   0.60836216    4.4231618    4.4390677   -2.1721849   0.08594237 
+   64000    26.729023  -0.76953985   0.76734633    4.5104288    5.0886456   -2.2118551   0.11339216 
+   65000    28.900471   -1.3901477   0.86194657    4.2774976     4.498325   -2.3672362   0.20668335 
+   66000    26.884253  -0.21198879   0.98509625    4.0843117    4.4344172   -2.3289416   0.23631017 
+   67000    27.210888  -0.84075559    1.0396559    4.7253607    4.4314589   -2.2985702   0.19326507 
+   68000    28.042102   -1.1898715     1.053534    3.8748712    4.4358449   -2.3998723    0.2431659 
+   69000    28.939141   -1.6968936   0.98155912    4.0460838    5.0075204   -2.5547087   0.28645131 
+   70000     27.15577  -0.85202797    1.1469079    4.7645212    4.6133209   -2.3410451  0.086576572 
+   71000    25.507417  -0.27780727   0.95157881    4.8759406     4.853401   -2.9598705   0.41011008 
+   72000    29.804703   -1.4847015   0.96345767    3.6797304    4.3678377   -2.4594626   0.14480206 
+   73000    28.602798   -1.4906143   0.72497266    4.2442974    4.5360598   -2.3621638   0.14385651 
+   74000      28.4928  -0.91319873    1.0377472    3.8033127    4.3991601   -2.4051911  0.095567428 
+   75000     26.38168  -0.70733237    1.1557817     5.697939    4.5935618   -2.4285007  0.058980519 
+   76000     27.16626  -0.83631031   0.84844246    4.7460887    4.5801472   -2.1260014   0.12845946 
+   77000    29.040661   -1.3089499   0.80285084     4.664804    4.5215895   -2.6861939   0.13215598 
+   78000    27.477871   -1.0600977   0.88595045    4.6264017    5.4095605    -2.474411   0.10987174 
+   79000    26.151797  -0.55779685   0.91382436      4.99964    4.9184022   -2.2547241   0.22854038 
+   80000     28.14523  -0.54460026    0.8982411    3.5374555    4.3785673   -2.3196807  0.088567964 
+   81000    29.029941   -1.6467789   0.79042284    3.7269899    4.7407998   -2.3795824    0.1408727 
+   82000    27.920287  -0.72798032    1.0076975    3.4449461    4.5621371   -2.8239074   0.25103454 
+   83000    29.131054    -1.114367   0.76887285     3.459639    4.5163922    -2.607825   0.19991648 
+   84000    28.249768  -0.69944068    1.0510846    4.0436296    4.6430538   -2.4213355  0.077299966 
+   85000     28.06888  -0.62132922   0.91829312    4.1294147    4.3099557    -2.354063   0.15866186 
+   86000    28.664264   -1.1022906   0.87831695    4.5773522    4.6045802   -2.9206875   0.33950063 
+   87000    27.960967   -1.2852756   0.77694253    3.9011301    4.9114139   -3.2374868    0.3068138 
+   88000    27.190678   -1.2803268    1.1545301    4.5769709    5.2404761   -2.3825838   0.10356039 
+   89000    26.792931  -0.44516641    1.0236244    4.2007253    4.7098685   -2.3608551  0.034447062 
+   90000    27.173991  -0.87185611     1.065719    4.1953618    4.6856408   -2.6539232   0.16957757 
+   91000    28.626528    -1.239257   0.89524651    4.7048012    4.6344201   -2.7367901   0.43534143 
+   92000    27.661812    -1.109044   0.92817391    5.0294489    4.3890711   -2.4108669   0.12570139 
+   93000    28.156793   -1.0820907   0.92812693     4.938385    4.4901426   -2.4023366   0.30135781 
+   94000    28.842149   -1.3524969    1.1451109    4.3125908    4.6959035   -2.6747199    0.2254607 
+   95000    27.862247   -1.2119045    1.0218976    4.2614082    4.4931316   -2.6902934   0.16345201 
+   96000    27.084973  -0.93738328    1.3984324    4.5647189    4.4232205   -2.2834097   0.11217888 
+   97000    27.587078  -0.89397255   0.78218462    3.8944421    4.3981479   -2.4205318   0.16570942 
+   98000    27.981746   -1.2380545   0.84847869     4.311441    4.7340377   -2.4270441  0.023565612 
+   99000    27.476625   -0.8569146   0.82550381    4.1656963    4.4064921   -2.4169708     0.160814 
+  100000    26.121325  -0.63610855    1.0803389    4.9257118    4.7073263   -2.4010334  0.066303044 
+Loop time of 2.60487 on 4 procs for 100000 steps with 34 atoms
+
+Performance: 6633.735 ns/day, 0.004 hours/ns, 38389.667 timesteps/s
+99.1% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.066848   | 0.26055    | 0.6843     |  48.6 | 10.00
+Bond    | 0.067332   | 0.45486    | 0.93545    |  55.1 | 17.46
+Neigh   | 0.0078266  | 0.007863   | 0.0078835  |   0.0 |  0.30
+Comm    | 0.41829    | 1.3207     | 1.8951     |  50.8 | 50.70
+Output  | 0.0033038  | 0.0036355  | 0.0040481  |   0.4 |  0.14
+Modify  | 0.040861   | 0.15162    | 0.27091    |  27.3 |  5.82
+Other   |            | 0.4057     |            |       | 15.57
+
+Nlocal:    8.5 ave 15 max 2 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    25.5 ave 32 max 19 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Neighs:    98.75 ave 257 max 18 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+
+Total # of neighbors = 395
+Ave neighs/atom = 11.6176
+Ave special neighs/atom = 9.52941
+Neighbor list builds = 294
+Dangerous builds = 0
+Total wall time: 0:00:02
--- a/examples/neb/README
+++ b/examples/neb/README
@ -1,12 +1,18 @@
 Run these examples as:

-mpirun -np 4 lmp_linux -partition 4x1 -in in.neb.hop1
-mpirun -np 4 lmp_linux -partition 4x1 -in in.neb.hop2
-mpirun -np 3 lmp_linux -partition 3x1 -in in.neb.sivac
+mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.hop1
+mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.hop2
+mpirun -np 3 lmp_g++ -partition 3x1 -in in.neb.sivac

-Create dump files to do visualization from via Python tools:
-(see lammps/tools/README and lammps/tools/python/README
-for more info on these Python scripts)
+mpirun -np 8 lmp_g++ -partition 4x2 -in in.neb.hop1
+mpirun -np 8 lmp_g++ -partition 4x2 -in in.neb.hop2
+mpirun -np 6 lmp_g++ -partition 3x2 -in in.neb.sivac
+mpirun -np 9 lmp_g++ -partition 3x3 -in in.neb.sivac
+
+If you uncomment the dump command lines in the input scripts, you can
+create dump files to do visualization from via Python tools: (see
+lammps/tools/README and lammps/tools/python/README for more info on
+these Python scripts)

 python ~/lammps/tools/python/neb_combine.py -o dump.hop1.combine
 					    -b dump.nonneb.1 
--- a/examples/neb/in.neb.hop1
+++ b/examples/neb/in.neb.hop1
@ -14,10 +14,13 @@ variable	u uloop 20

 lattice		hex 0.9
 region		box block 0 20 0 10 -0.25 0.25
-create_box	3 box
-create_atoms	1 box

-mass		* 1.0
+#create_box	3 box
+#create_atoms	1 box
+#mass		* 1.0
+#write_data      initial.hop1
+
+read_data        initial.hop1

 # LJ potentials

--- a/examples/neb/in.neb.hop2
+++ b/examples/neb/in.neb.hop2
@ -15,11 +15,14 @@ variable	u uloop 20
 lattice		hex 0.9
 region		box block 0 20 0 11 -0.25 0.25
 region		box1 block 0 20 0 10 -0.25 0.25
-create_box	3 box
-create_atoms	1 region box1
-create_atoms	1 single 11.5 10.5 0

-mass		* 1.0
+#create_box	3 box
+#create_atoms	1 region box1
+#create_atoms	1 single 11.5 10.5 0
+#mass		* 1.0
+#write_data      initial.hop2
+
+read_data        initial.hop2

 # LJ potentials

--- a/examples/neb/in.neb.sivac
+++ b/examples/neb/in.neb.sivac
@ -30,17 +30,20 @@ lattice         custom $a               &
 region          myreg block     0 4 &
                                0 4 &
                                0 4
-create_box      1 myreg
-create_atoms    1 region myreg

-mass            1       28.06
+#create_box      1 myreg
+#create_atoms    1 region myreg
+#mass            1       28.06
+#write_data      initial.sivac

-group Si type 1
+read_data       initial.sivac

 # make a vacancy

+group Si type 1
+
 group del id 300
-delete_atoms group del
+delete_atoms group del compress no
 group vacneigh id 174 175 301 304 306 331 337
 
 # choose potential
@ -54,7 +57,7 @@ variable	u uloop 20

 # only output atoms near vacancy

-dump events vacneigh custom 1000 dump.neb.sivac.$u id type x y z
+#dump events vacneigh custom 1000 dump.neb.sivac.$u id type x y z

 # initial minimization to relax vacancy

@ -72,5 +75,4 @@ thermo		100
 timestep        0.01
 min_style	quickmin

-neb		0.0 0.01 50 100 10 final final.sivac
-
+neb		0.0 0.01 100 100 10 final final.sivac
--- a/examples/neb/initial.hop1
+++ b/examples/neb/initial.hop1
@ -0,0 +1,860 @@
+LAMMPS data file via write_data, version 27 Sep 2016, timestep = 0
+
+420 atoms
+3 atom types
+
+0.0000000000000000e+00 2.2653923264628304e+01 xlo xhi
+-1.9618873042551413e-03 1.9620834929855668e+01 ylo yhi
+-2.8317404080785380e-01 2.8317404080785380e-01 zlo zhi
+
+Masses
+
+1 1
+2 1
+3 1
+
+Atoms # atomic
+
+1 1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+2 1 5.6634808161570760e-01 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+3 1 1.1326961632314152e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+4 1 1.6990442448471228e+00 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+5 1 2.2653923264628304e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+6 1 2.8317404080785380e+00 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+7 1 3.3980884896942456e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+8 1 3.9644365713099532e+00 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+9 1 4.5307846529256608e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+10 1 5.0971327345413684e+00 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+11 1 5.6634808161570760e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+12 1 6.2298288977727836e+00 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+13 1 6.7961769793884912e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+14 1 7.3625250610041988e+00 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+15 1 7.9288731426199064e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+16 1 8.4952212242356140e+00 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+17 1 9.0615693058513216e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+18 1 9.6279173874670292e+00 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+19 1 1.0194265469082737e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+20 1 1.0760613550698444e+01 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+21 1 1.1326961632314152e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+22 1 1.1893309713929860e+01 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+23 1 1.2459657795545567e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+24 1 1.3026005877161275e+01 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+25 1 1.3592353958776982e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+26 1 1.4158702040392690e+01 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+27 1 1.4725050122008398e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
+28 1 1.5291398203624105e+01 9.8094365212757073e-01 0.0000000000000000e+00 0 0 0
+29 1 1.5857746285239813e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
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--- a/examples/neb/initial.hop2
+++ b/examples/neb/initial.hop2
@ -0,0 +1,862 @@
+LAMMPS data file via write_data, version 27 Sep 2016, timestep = 0
+
+421 atoms
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+-2.1580760346806556e-03 2.0601974770713667e+01 ylo yhi
+-2.8317404080785380e-01 2.8317404080785380e-01 zlo zhi
+
+Masses
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+395 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+396 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+397 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+398 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+399 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+400 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+401 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+402 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+403 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+404 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+405 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+406 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+407 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+408 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+409 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+410 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+411 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+412 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+413 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+414 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+415 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+416 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+417 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+418 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+419 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+420 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+421 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
--- a/examples/neb/initial.sivac
+++ b/examples/neb/initial.sivac
--- a/examples/neb/log.28Sep16.neb.hop1.g++.4
+++ b/examples/neb/log.28Sep16.neb.hop1.g++.4
@ -1,4 +1,4 @@
-LAMMPS (15 Feb 2016)
+LAMMPS (27 Sep 2016)
 Running on 4 partitions of processors
 Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
 0    4327.2753    2746.3378    0.3387091    5.0075576    4514.5424   0.42933428   0.42323635    1.8941131            0   -3.0535948   0.33333333   -2.6242605   0.66666667   -2.7623811            1   -3.0474969 
--- a/examples/neb/log.28Sep16.neb.hop1.g++.8
+++ b/examples/neb/log.28Sep16.neb.hop1.g++.8
@ -0,0 +1,10 @@
+LAMMPS (27 Sep 2016)
+Running on 4 partitions of processors
+Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
+0    4327.2753    2746.3378    0.3387091    5.0075576    4514.5424   0.42933428   0.42323635    1.8941131            0   -3.0535948   0.33333333   -2.6242605   0.66666667   -2.7623811            1   -3.0474969 
+100   0.10482171  0.085218406  0.014588234  0.066178435   0.19602242 0.0070900401 0.0022691875    2.3031875            0   -3.0535967   0.31839181   -3.0473647     0.639876   -3.0465067            1   -3.0487759 
+111  0.096708718  0.078036984  0.013922966  0.054175505   0.20234693 0.0070871172 0.0022668002    2.3052946            0   -3.0535968   0.31853431   -3.0473633   0.64178873   -3.0465096            1   -3.0487764 
+Climbing replica = 3
+Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
+111   0.20234693   0.17770387  0.013922966  0.054175505   0.20234693 0.0070871172 0.0022668002    2.3052946            0   -3.0535968   0.31853431   -3.0473633   0.64178873   -3.0465096            1   -3.0487764 
+178   0.09975409  0.093814031  0.010577358  0.024247224   0.09975409 0.0071042931 0.0022851195     2.312004            0   -3.0535969   0.31607934   -3.0473923     0.618931   -3.0464926            1   -3.0487777 
--- a/examples/neb/log.28Sep16.neb.hop2.g++.4
+++ b/examples/neb/log.28Sep16.neb.hop2.g++.4
@ -1,4 +1,4 @@
-LAMMPS (15 Feb 2016)
+LAMMPS (27 Sep 2016)
 Running on 4 partitions of processors
 Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
 0    14.104748    10.419633   0.24852044    5.0039071    8.2116049 0.0018276223 0.00064050211   0.98401186            0   -3.0514921   0.33333333   -3.0496673   0.66666667   -3.0496645            1    -3.050305 
--- a/examples/neb/log.28Sep16.neb.hop2.g++.8
+++ b/examples/neb/log.28Sep16.neb.hop2.g++.8
@ -0,0 +1,18 @@
+LAMMPS (27 Sep 2016)
+Running on 4 partitions of processors
+Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
+0    14.104748    10.419633   0.24852044    5.0039071    8.2116049 0.0018276223 0.00064050211   0.98401186            0   -3.0514921   0.33333333   -3.0496673   0.66666667   -3.0496645            1    -3.050305 
+100   0.24646695   0.10792196   0.01781018  0.098854684   0.63725646  0.001516756 0.0015151635     1.165391            0   -3.0514939    0.2890334   -3.0503533   0.59718494   -3.0499771            1   -3.0514923 
+200  0.061777741  0.050288749  0.012466513  0.020420207   0.88741041 0.0014465772 0.0014462528    1.1692938            0   -3.0514941   0.29975094   -3.0503052   0.62768286   -3.0500476            1   -3.0514938 
+300  0.056346766  0.030000618 0.0093152917  0.013765031    1.0101529 0.0014069751 0.0014068154    1.1699608            0   -3.0514942   0.30992449   -3.0502613   0.64174291   -3.0500873            1   -3.0514941 
+400  0.025589489  0.015671005 0.0061287063  0.008588518    1.1136424  0.001370987 0.0013709154    1.1704204            0   -3.0514943   0.32016645   -3.0502198   0.65324019   -3.0501233            1   -3.0514943 
+500  0.014778626 0.0092108366 0.0042668521 0.0059963914    1.1636579 0.0013527466 0.0013527072    1.1706283            0   -3.0514944   0.32550275   -3.0501993   0.65875414   -3.0501416            1   -3.0514943 
+600   0.08786211  0.020876327 0.0031421548 0.0051657363    1.1898894 0.0013430848 0.0013430599    1.1707681            0   -3.0514944   0.32831927   -3.0501889   0.66160681   -3.0501513            1   -3.0514944 
+633 0.0098132678 0.0055392541 0.0030063464 0.0043091323    1.1924486 0.0013420127 0.0013419893    1.1707818            0   -3.0514944   0.32862625   -3.0501878   0.66191769   -3.0501524            1   -3.0514944 
+Climbing replica = 3
+Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
+633    1.1924486    1.1648685 0.0030063464 0.0043091323    1.1924486 0.0013420127 0.0013419893    1.1707818            0   -3.0514944   0.32862625   -3.0501878   0.66191769   -3.0501524            1   -3.0514944 
+733  0.095331134  0.089136608 0.0021551441 0.0031844438  0.043042998 0.0016022317 0.0016022168     1.170789            0   -3.0514944   0.29157063   -3.0503375   0.50358402   -3.0498922            1   -3.0514944 
+833   0.10539135  0.030724373 0.0013749699  0.002221013   0.10539135 0.0016019798  0.001601971    1.1732118            0   -3.0514944   0.26249002   -3.0504848   0.50415223   -3.0498924            1   -3.0514944 
+933   0.01883894  0.011496399 0.0011058925 0.0018178041  0.014621806 0.0016018934 0.0016018865     1.173866            0   -3.0514944   0.25788763   -3.0505113   0.50466375   -3.0498925            1   -3.0514944 
+996 0.0082457876 0.0036336551 0.00077325986 0.0013910671 0.0068823708 0.0016018293 0.0016018244     1.174511            0   -3.0514944    0.2544553   -3.0505324   0.50520462   -3.0498926            1   -3.0514944 
--- a/examples/neb/log.28Sep16.neb.sivac.g++.3
+++ b/examples/neb/log.28Sep16.neb.sivac.g++.3
@ -0,0 +1,14 @@
+LAMMPS (27 Sep 2016)
+Running on 3 partitions of processors
+Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
+0    7.5525391    1.6345605   0.16683659    7.5525391    7.5525391    1.5383951            0    1.6207355            0   -2213.3343          0.5   -2212.4096            1   -2211.7959 
+10   0.27332818  0.040944923  0.039164338   0.27332818   0.17804882   0.51235911     0.497084    1.6790474            0   -2213.3364   0.49024121    -2212.824            1   -2213.3211 
+20    0.1820396  0.018049916  0.024428411    0.1820396   0.08601739   0.51038174    0.5080746    1.7224961            0    -2213.337   0.49199582   -2212.8266            1   -2213.3347 
+30  0.043288796 0.0068108825  0.017372479  0.043288796  0.049466709   0.51032316    0.5095943    1.7304745            0   -2213.3371   0.49553568   -2212.8268            1   -2213.3364 
+40    0.0421393 0.0037035761   0.01173707    0.0421393  0.026104735   0.51022733    0.5100163    1.7366752            0   -2213.3373   0.49838067   -2212.8271            1   -2213.3371 
+50  0.025897844 0.0022804241 0.0081056535  0.025897844  0.016908913    0.5101712   0.51008591     1.739143            0   -2213.3373   0.49923344   -2212.8272            1   -2213.3373 
+59   0.00962839 0.0012946076  0.005657505  0.009365729  0.012040803   0.51014185   0.51010207    1.7404554            0   -2213.3374   0.49955698   -2212.8272            1   -2213.3373 
+Climbing replica = 2
+Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
+59  0.012040803 0.0031505502  0.005657505  0.009365729  0.012040803   0.51014185   0.51010207    1.7404554            0   -2213.3374   0.49955698   -2212.8272            1   -2213.3373 
+63  0.009152118 0.0016692472 0.0049645771 0.0081967836  0.009152118   0.51013743   0.51010776    1.7409028            0   -2213.3374   0.50022239   -2212.8272            1   -2213.3373 
--- a/examples/neb/log.28Sep16.neb.sivac.g++.6
+++ b/examples/neb/log.28Sep16.neb.sivac.g++.6
@ -0,0 +1,14 @@
+LAMMPS (27 Sep 2016)
+Running on 3 partitions of processors
+Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
+0    7.5525391    1.6345605   0.16683659    7.5525391    7.5525391    1.5383951            0    1.6207355            0   -2213.3343          0.5   -2212.4096            1   -2211.7959 
+10   0.27332818  0.040944923  0.039164338   0.27332818   0.17804882   0.51235911     0.497084    1.6790474            0   -2213.3364   0.49024121    -2212.824            1   -2213.3211 
+20    0.1820396  0.018049916  0.024428411    0.1820396   0.08601739   0.51038174    0.5080746    1.7224961            0    -2213.337   0.49199582   -2212.8266            1   -2213.3347 
+30  0.043288796 0.0068108825  0.017372479  0.043288796  0.049466709   0.51032316    0.5095943    1.7304745            0   -2213.3371   0.49553568   -2212.8268            1   -2213.3364 
+40  0.042139305 0.0037035764   0.01173707  0.042139305  0.026104735   0.51022733    0.5100163    1.7366752            0   -2213.3373   0.49838067   -2212.8271            1   -2213.3371 
+50  0.025899631 0.0022805513 0.0081057075  0.025899631  0.016908929    0.5101712   0.51008591     1.739143            0   -2213.3373   0.49923345   -2212.8272            1   -2213.3373 
+59 0.0096285044 0.0012946258 0.0056576061 0.0093678253  0.012040919   0.51014185   0.51010207    1.7404554            0   -2213.3374   0.49955698   -2212.8272            1   -2213.3373 
+Climbing replica = 2
+Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
+59  0.012040919 0.0031505771 0.0056576061 0.0093678253  0.012040919   0.51014185   0.51010207    1.7404554            0   -2213.3374   0.49955698   -2212.8272            1   -2213.3373 
+63 0.0091523813 0.0016692845 0.0049647607 0.0081998372 0.0091523813   0.51013743   0.51010775    1.7409028            0   -2213.3374   0.50022236   -2212.8272            1   -2213.3373 
--- a/examples/neb/log.28Sep16.neb.sivac.g++.9
+++ b/examples/neb/log.28Sep16.neb.sivac.g++.9
@ -1,4 +1,4 @@
-LAMMPS (15 Feb 2016)
+LAMMPS (27 Sep 2016)
 Running on 3 partitions of processors
 Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
 0    7.5525391    1.6345605   0.16683659    7.5525391    7.5525391    1.5383951            0    1.6207355            0   -2213.3343          0.5   -2212.4096            1   -2211.7959 
@ -6,9 +6,9 @@ Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 P
 20    0.1820396  0.018049916  0.024428411    0.1820396   0.08601739   0.51038174    0.5080746    1.7224961            0    -2213.337   0.49199582   -2212.8266            1   -2213.3347 
 30  0.043288796 0.0068108825  0.017372479  0.043288796  0.049466709   0.51032316    0.5095943    1.7304745            0   -2213.3371   0.49553568   -2212.8268            1   -2213.3364 
 40  0.042139318 0.0037035773  0.011737071  0.042139318  0.026104737   0.51022733    0.5100163    1.7366752            0   -2213.3373   0.49838067   -2212.8271            1   -2213.3371 
-50  0.025904252 0.0022808801  0.008105847  0.025904252  0.016908971    0.5101712   0.51008591    1.7391431            0   -2213.3373   0.49923347   -2212.8272            1   -2213.3373 
+50  0.025904121 0.0022808707 0.0081058431  0.025904121  0.016908969    0.5101712   0.51008591    1.7391431            0   -2213.3373   0.49923346   -2212.8272            1   -2213.3373 
+59 0.0096287928 0.0012946716  0.005657861 0.0093731008   0.01204121   0.51014185   0.51010207    1.7404554            0   -2213.3374   0.49955696   -2212.8272            1   -2213.3373 
 Climbing replica = 2
 Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
-50  0.025904252 0.0044134315  0.008105847  0.025904252  0.016908971    0.5101712   0.51008591    1.7391431            0   -2213.3373   0.49923347   -2212.8272            1   -2213.3373 
-60  0.011518317 0.0013089596 0.0054472815  0.011518317 0.0091629734   0.51014415   0.51010903    1.7406815            0   -2213.3374   0.50065207   -2212.8272            1   -2213.3373 
-61 0.0089525108 0.0012703829 0.0052524345 0.0088142351 0.0089525108   0.51014321   0.51010962    1.7407173            0   -2213.3374   0.50065779   -2212.8272            1   -2213.3373 
+59   0.01204121 0.0031506449  0.005657861 0.0093731008   0.01204121   0.51014185   0.51010207    1.7404554            0   -2213.3374   0.49955696   -2212.8272            1   -2213.3373 
+63 0.0091530442 0.0016693787 0.0049652227 0.0082075097 0.0091530442   0.51013743   0.51010775    1.7409027            0   -2213.3374   0.50022228   -2212.8272            1   -2213.3373 
--- a/examples/prd/README
+++ b/examples/prd/README
@ -1,5 +1,6 @@
 Run this example as:

-mpirun -np 4 lmp_linux -partition 4x1 -in in.prd
+mpirun -np 4 lmp_g++ -partition 4x1 -in in.prd
+mpirun -np 8 lmp_g++ -partition 4x2 -in in.prd

 You should be able to use any number of replicas >= 3.
--- a/examples/prd/log.15Feb16.prd.g++.4
+++ b/examples/prd/log.15Feb16.prd.g++.4
@ -1,22 +0,0 @@
-LAMMPS (15 Feb 2016)
-Running on 4 partitions of processors
-Step CPU Clock Event Correlated Coincident Replica
-100 0.000 0 0 0 0 0
-100 0.539 0 0 0 0 0
-100 0.694 0 0 0 0 0
-100 0.850 0 0 0 0 0
-100 0.928 0 0 0 0 0
-200 1.555 400 1 0 4 1
-300 1.924 500 2 1 1 1
-500 3.495 772 3 0 2 2
-800 5.446 1328 4 0 2 2
-1000 7.037 1636 5 0 1 3
-1000 7.989 1636 5 0 1 3
-1200 8.838 1908 6 0 1 2
-1300 9.212 2008 7 1 1 2
-1900 12.291 4024 8 0 1 3
-1900 12.832 4024 8 0 1 3
-1900 13.157 4024 8 0 1 3
-1900 13.320 4024 8 0 1 3
-2100 14.090 4220 9 0 2 3
-Loop time of 14.0941 on 4 procs for 2000 steps with 511 atoms
--- a/examples/prd/log.29Sep16.prd.g++.4
+++ b/examples/prd/log.29Sep16.prd.g++.4
@ -0,0 +1,22 @@
+LAMMPS (28 Sep 2016)
+Running on 4 partitions of processors
+Step CPU Clock Event Correlated Coincident Replica
+100 0.000 0 0 0 0 0
+100 0.521 0 0 0 0 0
+100 0.670 0 0 0 0 0
+100 0.822 0 0 0 0 0
+100 0.896 0 0 0 0 0
+200 1.555 400 1 0 4 1
+300 1.918 500 2 1 1 1
+500 3.476 772 3 0 2 2
+800 5.379 1328 4 0 2 2
+1000 6.914 1636 5 0 1 3
+1000 7.859 1636 5 0 1 3
+1200 8.658 1908 6 0 1 2
+1300 9.018 2008 7 1 1 2
+1900 12.005 4024 8 0 1 3
+1900 12.539 4024 8 0 1 3
+1900 12.861 4024 8 0 1 3
+1900 13.027 4024 8 0 1 3
+2100 13.798 4220 9 0 2 3
+Loop time of 13.8021 on 4 procs for 2000 steps with 511 atoms
--- a/examples/prd/log.29Sep16.prd.g++.8
+++ b/examples/prd/log.29Sep16.prd.g++.8
@ -0,0 +1,22 @@
+LAMMPS (28 Sep 2016)
+Running on 4 partitions of processors
+Step CPU Clock Event Correlated Coincident Replica
+100 0.000 0 0 0 0 0
+100 0.289 0 0 0 0 0
+100 0.373 0 0 0 0 0
+100 0.458 0 0 0 0 0
+100 0.500 0 0 0 0 0
+200 0.800 400 1 0 4 1
+300 0.999 500 2 1 1 1
+500 1.834 772 3 0 2 2
+800 2.864 1328 4 0 2 2
+1000 3.706 1636 5 0 1 3
+1000 4.211 1636 5 0 1 3
+1200 4.655 1908 6 0 1 2
+1300 4.854 2008 7 1 1 2
+1900 6.503 4024 8 0 1 3
+1900 6.792 4024 8 0 1 3
+1900 6.968 4024 8 0 1 3
+1900 7.055 4024 8 0 1 3
+2100 7.463 4220 9 0 2 3
+Loop time of 7.46531 on 8 procs for 2000 steps with 511 atoms
--- a/examples/prd/screen.29Sep16.prd.g++.4.0
+++ b/examples/prd/screen.29Sep16.prd.g++.4.0
--- a/examples/prd/screen.29Sep16.prd.g++.4.1
+++ b/examples/prd/screen.29Sep16.prd.g++.4.1
--- a/examples/prd/screen.29Sep16.prd.g++.4.2
+++ b/examples/prd/screen.29Sep16.prd.g++.4.2
--- a/examples/prd/screen.29Sep16.prd.g++.4.3
+++ b/examples/prd/screen.29Sep16.prd.g++.4.3
--- a/examples/prd/screen.29Sep16.prd.g++.8.0
+++ b/examples/prd/screen.29Sep16.prd.g++.8.0
--- a/examples/prd/screen.29Sep16.prd.g++.8.1
+++ b/examples/prd/screen.29Sep16.prd.g++.8.1
--- a/examples/prd/screen.29Sep16.prd.g++.8.2
+++ b/examples/prd/screen.29Sep16.prd.g++.8.2
--- a/examples/prd/screen.29Sep16.prd.g++.8.3
+++ b/examples/prd/screen.29Sep16.prd.g++.8.3
--- a/examples/snap/Ta06A_pot.snap
+++ b/examples/snap/Ta06A_pot.snap
@ -9,9 +9,9 @@ variable zblz equal 73

 # Specify hybrid with SNAP, ZBL

-pair_style hybrid/overlay &
-zbl ${zblcutinner} ${zblcutouter} &
-snap
+pair_style hybrid/overlay snap &
+zbl ${zblcutinner} ${zblcutouter}
+
 pair_coeff 1 1 zbl ${zblz} ${zblz}
 pair_coeff * * snap Ta06A.snapcoeff Ta Ta06A.snapparam Ta

--- a/examples/tad/README
+++ b/examples/tad/README
@ -1,5 +1,5 @@
 Run this example as:

-mpirun -np 3 lmp_linux -partition 3x1 -in in.tad
+mpirun -np 3 lmp_g++ -partition 3x1 -in in.tad

 You should be able to use any number of replicas >= 3.
--- a/Show More
+++ b/Show More