git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7593 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-01-27 23:39:14 +00:00
parent 10eb4cb68d
commit 6234087ef8
224 changed files with 443 additions and 319 deletions

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@ -100,15 +100,17 @@ it gives quick access to documentation for all LAMMPS commands.
<BR>
2.3 <A HREF = "Section_start.html#start_3">Making LAMMPS with optional packages</A>
<BR>
2.4 <A HREF = "Section_start.html#start_4">Building LAMMPS as a library</A>
2.4 <A HREF = "Section_start.html#start_4">Building LAMMPS via the Make.py script</A>
<BR>
2.5 <A HREF = "Section_start.html#start_5">Running LAMMPS</A>
2.5 <A HREF = "Section_start.html#start_5">Building LAMMPS as a library</A>
<BR>
2.6 <A HREF = "Section_start.html#start_6">Command-line options</A>
2.6 <A HREF = "Section_start.html#start_6">Running LAMMPS</A>
<BR>
2.7 <A HREF = "Section_start.html#start_7">Screen output</A>
2.7 <A HREF = "Section_start.html#start_7">Command-line options</A>
<BR>
2.8 <A HREF = "2_8">Tips for users of previous versions</A>
2.8 <A HREF = "Section_start.html#start_8">Screen output</A>
<BR>
2.9 <A HREF = "Section_start.html#start_9">Tips for users of previous versions</A>
<BR></UL>
<LI><A HREF = "Section_commands.html">Commands</A>
@ -393,6 +395,8 @@ it gives quick access to documentation for all LAMMPS commands.

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@ -86,11 +86,12 @@ it gives quick access to documentation for all LAMMPS commands.
2.1 "What's in the LAMMPS distribution"_start_1 :ulb,b
2.2 "Making LAMMPS"_start_2 :b
2.3 "Making LAMMPS with optional packages"_start_3 :b
2.4 "Building LAMMPS as a library"_start_4 :b
2.5 "Running LAMMPS"_start_5 :b
2.6 "Command-line options"_start_6 :b
2.7 "Screen output"_start_7 :b
2.8 "Tips for users of previous versions"_2_8 :ule,b
2.4 "Building LAMMPS via the Make.py script"_start_4 :b
2.5 "Building LAMMPS as a library"_start_5 :b
2.6 "Running LAMMPS"_start_6 :b
2.7 "Command-line options"_start_7 :b
2.8 "Screen output"_start_8 :b
2.9 "Tips for users of previous versions"_start_9 :ule,b
"Commands"_Section_commands.html :l
3.1 "LAMMPS input script"_cmd_1 :ulb,b
3.2 "Parsing rules"_cmd_2 :b
@ -177,6 +178,7 @@ it gives quick access to documentation for all LAMMPS commands.
:link(start_6,Section_start.html#start_6)
:link(start_7,Section_start.html#start_7)
:link(start_8,Section_start.html#start_8)
:link(start_9,Section_start.html#start_9)
:link(cmd_1,Section_commands.html#cmd_1)
:link(cmd_2,Section_commands.html#cmd_2)

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@ -46,7 +46,7 @@ style exist in LAMMPS:
</UL>
<P>Assuming you have built LAMMPS with the appropriate package, these
styles can be invoked by specifying them explicitly in your input
script. Or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
script. Or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> to invoke the accelerated versions
automatically, without changing your input script. The
<A HREF = "suffix.html">suffix</A> command allows you to set a suffix explicitly and
@ -318,7 +318,7 @@ and in many cases it will be more efficient to run this way.
</P>
<UL><LI>To invoke specific styles from the GPU package, you can either append
"gpu" to the style name (e.g. pair_style lj/cut/gpu), or use the
<A HREF = "Section_start.html#start_6">-suffix command-line switch</A>, or use the
<A HREF = "Section_start.html#start_7">-suffix command-line switch</A>, or use the
<A HREF = "suffix.html">suffix</A> command.
<LI>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I>.
@ -483,7 +483,7 @@ suffix are as follows:
</P>
<UL><LI>To invoke specific styles from the USER-CUDA package, you can either
append "cuda" to the style name (e.g. pair_style lj/cut/cuda), or use
the <A HREF = "Section_start.html#start_6">-suffix command-line switch</A>, or use
the <A HREF = "Section_start.html#start_7">-suffix command-line switch</A>, or use
the <A HREF = "suffix.html">suffix</A> command. One exception is that the
<A HREF = "kspace_style.html">kspace_style pppm/cuda</A> command has to be requested
explicitly.
@ -491,7 +491,7 @@ explicitly.
<LI>To use the USER-CUDA package with its default settings, no additional
command is needed in your input script. This is because when LAMMPS
starts up, it detects if it has been built with the USER-CUDA package.
See the <A HREF = "Section_start.html#start_6">-cuda command-line switch</A> for
See the <A HREF = "Section_start.html#start_7">-cuda command-line switch</A> for
more details.
<LI>To change settings for the USER-CUDA package at run-time, the <A HREF = "package.html">package

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@ -44,7 +44,7 @@ style exist in LAMMPS:
Assuming you have built LAMMPS with the appropriate package, these
styles can be invoked by specifying them explicitly in your input
script. Or you can use the "-suffix command-line
switch"_Section_start.html#start_6 to invoke the accelerated versions
switch"_Section_start.html#start_7 to invoke the accelerated versions
automatically, without changing your input script. The
"suffix"_suffix.html command allows you to set a suffix explicitly and
to turn off/on the comand-line switch setting, both from within your
@ -312,7 +312,7 @@ Additional input script requirements to run pair or PPPM styles with a
To invoke specific styles from the GPU package, you can either append
"gpu" to the style name (e.g. pair_style lj/cut/gpu), or use the
"-suffix command-line switch"_Section_start.html#start_6, or use the
"-suffix command-line switch"_Section_start.html#start_7, or use the
"suffix"_suffix.html command. :ulb,l
The "newton pair"_newton.html setting must be {off}. :l
@ -476,7 +476,7 @@ suffix are as follows:
To invoke specific styles from the USER-CUDA package, you can either
append "cuda" to the style name (e.g. pair_style lj/cut/cuda), or use
the "-suffix command-line switch"_Section_start.html#start_6, or use
the "-suffix command-line switch"_Section_start.html#start_7, or use
the "suffix"_suffix.html command. One exception is that the
"kspace_style pppm/cuda"_kspace_style.html command has to be requested
explicitly. :ulb,l
@ -484,7 +484,7 @@ explicitly. :ulb,l
To use the USER-CUDA package with its default settings, no additional
command is needed in your input script. This is because when LAMMPS
starts up, it detects if it has been built with the USER-CUDA package.
See the "-cuda command-line switch"_Section_start.html#start_6 for
See the "-cuda command-line switch"_Section_start.html#start_7 for
more details. :l
To change settings for the USER-CUDA package at run-time, the "package

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@ -319,7 +319,7 @@ jump in.polymer
<P>All of the above examples work whether you are running on 1 or
multiple processors, but assumed you are running LAMMPS on a single
partition of processors. LAMMPS can be run on multiple partitions via
the "-partition" command-line switch as described in <A HREF = "Section_start.html#start_6">this
the "-partition" command-line switch as described in <A HREF = "Section_start.html#start_7">this
section</A> of the manual.
</P>
<P>In the last 2 examples, if LAMMPS were run on 3 partitions, the same
@ -361,7 +361,7 @@ for more info on packages.
</P>
<P>In all these cases, you must run with one or more processors per
replica. The processors assigned to each replica are determined at
run-time by using the <A HREF = "Section_start.html#start_6">-partition command-line
run-time by using the <A HREF = "Section_start.html#start_7">-partition command-line
switch</A> to launch LAMMPS on multiple
partitions, which in this context are the same as replicas. E.g.
these commands:
@ -370,7 +370,7 @@ these commands:
mpirun -np 8 lmp_linux -partition 8x1 -in in.neb
</PRE>
<P>would each run 8 replicas, on either 16 or 8 processors. Note the use
of the <A HREF = "Section_start.html#start_6">-in command-line switch</A> to specify
of the <A HREF = "Section_start.html#start_7">-in command-line switch</A> to specify
the input script which is required when running in multi-replica mode.
</P>
<P>Also note that with MPI installed on a machine (e.g. your desktop),
@ -665,7 +665,7 @@ strain induced across grain boundaries
<P><A HREF = "Section_start.html#start_4">This section</A> of the documentation
<P><A HREF = "Section_start.html#start_5">This section</A> of the documentation
describes how to build LAMMPS as a library. Once this is done, you
can interface with LAMMPS either via C++, C, Fortran, or Python (or
any other language that supports a vanilla C-like interface). For
@ -1662,7 +1662,7 @@ converge and requires careful post-processing <A HREF = "#Shinoda">(Shinoda)</A>
<A NAME = "howto_19"></A><H4>6.19 Library interface to LAMMPS
</H4>
<P>As described in <A HREF = "Section_start.html#start_4">Section_start 4</A>, LAMMPS
<P>As described in <A HREF = "Section_start.html#start_5">Section_start 4</A>, LAMMPS
can be built as a library, so that it can be called by another code,
used in a <A HREF = "Section_howto.html#howto_10">coupled manner</A> with other
codes, or driven through a <A HREF = "Section_python.html">Python interface</A>.
@ -1684,7 +1684,7 @@ void lammps_file(void *, char *);
char *lammps_command(void *, char *);
</PRE>
<P>The lammps_open() function is used to initialize LAMMPS, passing in a
list of strings as if they were <A HREF = "Section_start.html#start_6">command-line
list of strings as if they were <A HREF = "Section_start.html#start_7">command-line
arguments</A> when LAMMPS is run in
stand-alone mode from the command line, and a MPI communicator for
LAMMPS to run under. It returns a ptr to the LAMMPS object that is

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@ -315,7 +315,7 @@ All of the above examples work whether you are running on 1 or
multiple processors, but assumed you are running LAMMPS on a single
partition of processors. LAMMPS can be run on multiple partitions via
the "-partition" command-line switch as described in "this
section"_Section_start.html#start_6 of the manual.
section"_Section_start.html#start_7 of the manual.
In the last 2 examples, if LAMMPS were run on 3 partitions, the same
scripts could be used if the "index" and "loop" variables were
@ -357,7 +357,7 @@ for more info on packages.
In all these cases, you must run with one or more processors per
replica. The processors assigned to each replica are determined at
run-time by using the "-partition command-line
switch"_Section_start.html#start_6 to launch LAMMPS on multiple
switch"_Section_start.html#start_7 to launch LAMMPS on multiple
partitions, which in this context are the same as replicas. E.g.
these commands:
@ -365,7 +365,7 @@ mpirun -np 16 lmp_linux -partition 8x2 -in in.temper
mpirun -np 8 lmp_linux -partition 8x1 -in in.neb :pre
would each run 8 replicas, on either 16 or 8 processors. Note the use
of the "-in command-line switch"_Section_start.html#start_6 to specify
of the "-in command-line switch"_Section_start.html#start_7 to specify
the input script which is required when running in multi-replica mode.
Also note that with MPI installed on a machine (e.g. your desktop),
@ -659,7 +659,7 @@ strain induced across grain boundaries :l,ule
:link(quest,http://dft.sandia.gov/Quest)
:link(spparks,http://www.sandia.gov/~sjplimp/spparks.html)
"This section"_Section_start.html#start_4 of the documentation
"This section"_Section_start.html#start_5 of the documentation
describes how to build LAMMPS as a library. Once this is done, you
can interface with LAMMPS either via C++, C, Fortran, or Python (or
any other language that supports a vanilla C-like interface). For
@ -1649,7 +1649,7 @@ converge and requires careful post-processing "(Shinoda)"_#Shinoda
6.19 Library interface to LAMMPS :link(howto_19),h4
As described in "Section_start 4"_Section_start.html#start_4, LAMMPS
As described in "Section_start 4"_Section_start.html#start_5, LAMMPS
can be built as a library, so that it can be called by another code,
used in a "coupled manner"_Section_howto.html#howto_10 with other
codes, or driven through a "Python interface"_Section_python.html.
@ -1672,7 +1672,7 @@ char *lammps_command(void *, char *); :pre
The lammps_open() function is used to initialize LAMMPS, passing in a
list of strings as if they were "command-line
arguments"_Section_start.html#start_6 when LAMMPS is run in
arguments"_Section_start.html#start_7 when LAMMPS is run in
stand-alone mode from the command line, and a MPI communicator for
LAMMPS to run under. It returns a ptr to the LAMMPS object that is
created, and which is used in subsequent library calls. The

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@ -34,7 +34,7 @@ packages. It can be used to glue multiple pieces of software
together, e.g. to run a coupled or multiscale model. See <A HREF = "Section_howto.html#howto_10">this
section</A> of the manual and the couple
directory of the distribution for more ideas about coupling LAMMPS to
other codes. See <A HREF = "Section_start.html#start_4">Section_start 4</A> about
other codes. See <A HREF = "Section_start.html#start_5">Section_start 4</A> about
how to build LAMMPS as a library, and <A HREF = "Section_howto.html#howto_19">this
section</A> for a description of the library
interface provided in src/library.cpp and src/library.h and how to
@ -582,7 +582,7 @@ following steps:
src/library.h.
<LI>Verify the new function is syntactically correct by building LAMMPS as
a library - see <A HREF = "Section_start.html#start_4">Section_start 4</A> of the
a library - see <A HREF = "Section_start.html#start_5">Section_start 4</A> of the
manual.
<LI>Add a wrapper method in the Python LAMMPS module to python/lammps.py

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@ -31,7 +31,7 @@ packages. It can be used to glue multiple pieces of software
together, e.g. to run a coupled or multiscale model. See "this
section"_Section_howto.html#howto_10 of the manual and the couple
directory of the distribution for more ideas about coupling LAMMPS to
other codes. See "Section_start 4"_Section_start.html#start_4 about
other codes. See "Section_start 4"_Section_start.html#start_5 about
how to build LAMMPS as a library, and "this
section"_Section_howto.html#howto_19 for a description of the library
interface provided in src/library.cpp and src/library.h and how to
@ -577,7 +577,7 @@ Add a new interface function to src/library.cpp and
src/library.h. :ulb,l
Verify the new function is syntactically correct by building LAMMPS as
a library - see "Section_start 4"_Section_start.html#start_4 of the
a library - see "Section_start 4"_Section_start.html#start_5 of the
manual. :l
Add a wrapper method in the Python LAMMPS module to python/lammps.py

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@ -17,11 +17,12 @@ experienced users.
2.1 <A HREF = "#start_1">What's in the LAMMPS distribution</A><BR>
2.2 <A HREF = "#start_2">Making LAMMPS</A><BR>
2.3 <A HREF = "#start_3">Making LAMMPS with optional packages</A><BR>
2.4 <A HREF = "#start_4">Building LAMMPS as a library</A><BR>
2.5 <A HREF = "#start_5">Running LAMMPS</A><BR>
2.6 <A HREF = "#start_6">Command-line options</A><BR>
2.7 <A HREF = "#start_7">Screen output</A><BR>
2.8 <A HREF = "#start_8">Tips for users of previous versions</A> <BR>
2.4 <A HREF = "#start_4">Building LAMMPS via the Make.py script</A><BR>
2.5 <A HREF = "#start_5">Building LAMMPS as a library</A><BR>
2.6 <A HREF = "#start_6">Running LAMMPS</A><BR>
2.7 <A HREF = "#start_7">Command-line options</A><BR>
2.8 <A HREF = "#start_8">Screen output</A><BR>
2.9 <A HREF = "#start_9">Tips for users of previous versions</A> <BR>
<HR>
@ -56,7 +57,7 @@ then you just get a single file:
</P>
<PRE>lmp_windows.exe
</PRE>
<P>Skip to the <A HREF = "#start_5">Running LAMMPS</A> sections for info on how to
<P>Skip to the <A HREF = "#start_6">Running LAMMPS</A> sections for info on how to
launch these executables on a Windows box.
</P>
<P>The Windows executables for serial or parallel only include certain
@ -93,18 +94,18 @@ pre-built, etc.
<P>Please read this section carefully. If you are not comfortable with
makefiles, or building codes on a Unix platform, or running an MPI job
on your machine, please find a local expert to help you. Many
compiling, linking, and run problems that users have are not really
compiling, linking, and run problems that users have are often not
LAMMPS issues - they are peculiar to the user's system, compilers,
libraries, etc. Such questions are better answered by a local expert.
</P>
<P>If you have a build problem that you are convinced is a LAMMPS issue
(e.g. the compiler complains about a line of LAMMPS source code), then
please send an email to the
<A HREF = "http://lammps.sandia.gov/authors.html">developers</A>.
please post a question to the <A HREF = "http://lammps.sandia.gov/mail.html">LAMMPS mail
list</A>.
</P>
<P>If you succeed in building LAMMPS on a new kind of machine, for which
there isn't a similar Makefile for in the src/MAKE directory, send it
to the developers and we'll include it in future LAMMPS releases.
to the developers and we can include it in the LAMMPS distribution.
</P>
<HR>
@ -425,7 +426,7 @@ above in Step 4.
</P>
<P>You can make LAMMPS for multiple platforms from the same src
directory. Each target creates its own object sub-directory called
Obj_name where it stores the system-specific *.o files.
Obj_target where it stores the system-specific *.o files.
</P>
<P>(2) Cleaning up.
</P>
@ -476,14 +477,15 @@ secs/timestep.
<A NAME = "start_2_5"></A><B><I>Building for a Mac:</I></B>
<P>OS X is BSD Unix, so it should just work. See the Makefile.mac file.
<P>OS X is BSD Unix, so it should just work. See the
src/MAKE/Makefile.mac file.
</P>
<HR>
<A NAME = "start_2_6"></A><B><I>Building for Windows:</I></B>
<P>The LAMMPS download page has an option to download both a serial and
parallel pre-built Windows exeutable. See the <A HREF = "#start_5">Running
parallel pre-built Windows exeutable. See the <A HREF = "#start_6">Running
LAMMPS</A> section for instructions for running these
executables on a Windows box.
</P>
@ -538,7 +540,7 @@ package. You can also type
</P>
<PRE>lmp_machine -h
</PRE>
<P>to run your executable with the optional <A HREF = "#start_6">-h command-line
<P>to run your executable with the optional <A HREF = "#start_7">-h command-line
switch</A> for "help", which will list the styles and commands
known to your executable.
</P>
@ -695,7 +697,64 @@ build will likely fail.
</P>
<HR>
<H4><A NAME = "start_4"></A>2.4 Building LAMMPS as a library
<H4><A NAME = "start_4"></A>2.4 Building LAMMPS via the Make.py script
</H4>
<P>The src directory includes a Make.py script, written
in Python, which can be used to automate various steps
of the build process.
</P>
<P>You can run the script from the src directory by typing either:
</P>
<PRE>Make.py
python Make.py
</PRE>
<P>which will give you info about the tool. For the former to work, you
may need to edit the 1st line of the script to point to your local
Python. And you may need to insure the script is executable:
</P>
<PRE>chmod +x Make.py
</PRE>
<P>The following options are supported as switches:
</P>
<UL><LI>-i file1 file2 ...
<LI>-p package1 package2 ...
<LI>-u package1 package2 ...
<LI>-e package1 arg1 arg2 package2 ...
<LI>-o dir
<LI>-b machine
<LI>-s suffix1 suffix2 ...
<LI>-l dir
<LI>-j N
<LI>-h switch1 switch2 ...
</UL>
<P>Help on any switch can be listed by using -h, e.g.
</P>
<PRE>Make.py -h -i -p
</PRE>
<P>At a hi-level, these are the kinds of package management
and build tasks that can be performed easily, using
the Make.py tool:
</P>
<UL><LI>install/uninstall packages and build the associated external libs (use -p and -u and -e)
<LI>install packages needed for one or more input scripts (use -i and -p)
<LI>build LAMMPS, either in the src dir or new dir (use -b)
<LI>create a new dir with only the source code needed for one or more input scripts (use -i and -o)
</UL>
<P>The last bullet can be useful when you wish to build a stripped-down
version of LAMMPS to run a specific script(s). Or when you wish to
move the minimal amount of files to another platform for a remote
LAMMPS build.
</P>
<P>Note that using Make.py is not a substitute for insuring you have a
valid src/MAKE/Makefile.foo for your system, or that external library
Makefiles in any lib/* directories you use are also valid for your
system. But once you have done that, you can use Make.py to quickly
include/exclude the packages and external libraries needed by your
input scripts.
</P>
<HR>
<H4><A NAME = "start_5"></A>2.5 Building LAMMPS as a library
</H4>
<P>LAMMPS itself can be built as a library, which can then be called from
another application or a scripting language. See <A HREF = "Section_howto.html#howto_10">this
@ -738,7 +797,7 @@ your needs.
</P>
<HR>
<H4><A NAME = "start_5"></A>2.5 Running LAMMPS
<H4><A NAME = "start_6"></A>2.6 Running LAMMPS
</H4>
<P>By default, LAMMPS runs by reading commands from stdin; e.g. lmp_linux
< in.file. This means you first create an input script (e.g. in.file)
@ -848,7 +907,7 @@ more processors or setup a smaller problem.
</P>
<HR>
<H4><A NAME = "start_6"></A>2.6 Command-line options
<H4><A NAME = "start_7"></A>2.7 Command-line options
</H4>
<P>At run time, LAMMPS recognizes several optional command-line switches
which may be used in any order. Either the full word or a one-or-two
@ -1117,7 +1176,7 @@ negative numeric value. It is OK if the first value1 starts with a
</P>
<HR>
<H4><A NAME = "start_7"></A>2.7 LAMMPS screen output
<H4><A NAME = "start_8"></A>2.8 LAMMPS screen output
</H4>
<P>As LAMMPS reads an input script, it prints information to both the
screen and a log file about significant actions it takes to setup a
@ -1214,7 +1273,7 @@ communication, roughly 75% in the example above.
</P>
<HR>
<H4><A NAME = "start_8"></A>2.8 Tips for users of previous LAMMPS versions
<H4><A NAME = "start_9"></A>2.9 Tips for users of previous LAMMPS versions
</H4>
<P>The current C++ began with a complete rewrite of LAMMPS 2001, which
was written in F90. Features of earlier versions of LAMMPS are listed

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@ -14,11 +14,12 @@ experienced users.
2.1 "What's in the LAMMPS distribution"_#start_1
2.2 "Making LAMMPS"_#start_2
2.3 "Making LAMMPS with optional packages"_#start_3
2.4 "Building LAMMPS as a library"_#start_4
2.5 "Running LAMMPS"_#start_5
2.6 "Command-line options"_#start_6
2.7 "Screen output"_#start_7
2.8 "Tips for users of previous versions"_#start_8 :all(b)
2.4 "Building LAMMPS via the Make.py script"_#start_4
2.5 "Building LAMMPS as a library"_#start_5
2.6 "Running LAMMPS"_#start_6
2.7 "Command-line options"_#start_7
2.8 "Screen output"_#start_8
2.9 "Tips for users of previous versions"_#start_9 :all(b)
:line
:line
@ -50,7 +51,7 @@ then you just get a single file:
lmp_windows.exe :pre
Skip to the "Running LAMMPS"_#start_5 sections for info on how to
Skip to the "Running LAMMPS"_#start_6 sections for info on how to
launch these executables on a Windows box.
The Windows executables for serial or parallel only include certain
@ -87,18 +88,18 @@ pre-built, etc.
Please read this section carefully. If you are not comfortable with
makefiles, or building codes on a Unix platform, or running an MPI job
on your machine, please find a local expert to help you. Many
compiling, linking, and run problems that users have are not really
compiling, linking, and run problems that users have are often not
LAMMPS issues - they are peculiar to the user's system, compilers,
libraries, etc. Such questions are better answered by a local expert.
If you have a build problem that you are convinced is a LAMMPS issue
(e.g. the compiler complains about a line of LAMMPS source code), then
please send an email to the
"developers"_http://lammps.sandia.gov/authors.html.
please post a question to the "LAMMPS mail
list"_http://lammps.sandia.gov/mail.html.
If you succeed in building LAMMPS on a new kind of machine, for which
there isn't a similar Makefile for in the src/MAKE directory, send it
to the developers and we'll include it in future LAMMPS releases.
to the developers and we can include it in the LAMMPS distribution.
:line
@ -419,7 +420,7 @@ above in Step 4.
You can make LAMMPS for multiple platforms from the same src
directory. Each target creates its own object sub-directory called
Obj_name where it stores the system-specific *.o files.
Obj_target where it stores the system-specific *.o files.
(2) Cleaning up.
@ -470,7 +471,8 @@ secs/timestep.
[{Building for a Mac:}] :link(start_2_5)
OS X is BSD Unix, so it should just work. See the Makefile.mac file.
OS X is BSD Unix, so it should just work. See the
src/MAKE/Makefile.mac file.
:line
@ -478,7 +480,7 @@ OS X is BSD Unix, so it should just work. See the Makefile.mac file.
The LAMMPS download page has an option to download both a serial and
parallel pre-built Windows exeutable. See the "Running
LAMMPS"_#start_5 section for instructions for running these
LAMMPS"_#start_6 section for instructions for running these
executables on a Windows box.
If the pre-built executable doesn't have the options you want, then
@ -533,7 +535,7 @@ package. You can also type
lmp_machine -h :pre
to run your executable with the optional "-h command-line
switch"_#start_6 for "help", which will list the styles and commands
switch"_#start_7 for "help", which will list the styles and commands
known to your executable.
There are two kinds of packages in LAMMPS, standard and user packages.
@ -689,7 +691,64 @@ build will likely fail.
:line
2.4 Building LAMMPS as a library :h4,link(start_4)
2.4 Building LAMMPS via the Make.py script :h4,link(start_4)
The src directory includes a Make.py script, written
in Python, which can be used to automate various steps
of the build process.
You can run the script from the src directory by typing either:
Make.py
python Make.py :pre
which will give you info about the tool. For the former to work, you
may need to edit the 1st line of the script to point to your local
Python. And you may need to insure the script is executable:
chmod +x Make.py :pre
The following options are supported as switches:
-i file1 file2 ...
-p package1 package2 ...
-u package1 package2 ...
-e package1 arg1 arg2 package2 ...
-o dir
-b machine
-s suffix1 suffix2 ...
-l dir
-j N
-h switch1 switch2 ... :ul
Help on any switch can be listed by using -h, e.g.
Make.py -h -i -p :pre
At a hi-level, these are the kinds of package management
and build tasks that can be performed easily, using
the Make.py tool:
install/uninstall packages and build the associated external libs (use -p and -u and -e)
install packages needed for one or more input scripts (use -i and -p)
build LAMMPS, either in the src dir or new dir (use -b)
create a new dir with only the source code needed for one or more input scripts (use -i and -o) :ul
The last bullet can be useful when you wish to build a stripped-down
version of LAMMPS to run a specific script(s). Or when you wish to
move the minimal amount of files to another platform for a remote
LAMMPS build.
Note that using Make.py is not a substitute for insuring you have a
valid src/MAKE/Makefile.foo for your system, or that external library
Makefiles in any lib/* directories you use are also valid for your
system. But once you have done that, you can use Make.py to quickly
include/exclude the packages and external libraries needed by your
input scripts.
:line
2.5 Building LAMMPS as a library :h4,link(start_5)
LAMMPS itself can be built as a library, which can then be called from
another application or a scripting language. See "this
@ -732,7 +791,7 @@ your needs.
:line
2.5 Running LAMMPS :h4,link(start_5)
2.6 Running LAMMPS :h4,link(start_6)
By default, LAMMPS runs by reading commands from stdin; e.g. lmp_linux
< in.file. This means you first create an input script (e.g. in.file)
@ -839,7 +898,7 @@ more processors or setup a smaller problem.
:line
2.6 Command-line options :h4,link(start_6)
2.7 Command-line options :h4,link(start_7)
At run time, LAMMPS recognizes several optional command-line switches
which may be used in any order. Either the full word or a one-or-two
@ -1108,7 +1167,7 @@ negative numeric value. It is OK if the first value1 starts with a
:line
2.7 LAMMPS screen output :h4,link(start_7)
2.8 LAMMPS screen output :h4,link(start_8)
As LAMMPS reads an input script, it prints information to both the
screen and a log file about significant actions it takes to setup a
@ -1205,7 +1264,7 @@ communication, roughly 75% in the example above.
:line
2.8 Tips for users of previous LAMMPS versions :h4,link(start_8)
2.9 Tips for users of previous LAMMPS versions :h4,link(start_9)
The current C++ began with a complete rewrite of LAMMPS 2001, which
was written in F90. Features of earlier versions of LAMMPS are listed

View File

@ -63,7 +63,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -60,7 +60,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -95,7 +95,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -92,7 +92,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -52,7 +52,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -49,7 +49,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -57,7 +57,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -54,7 +54,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -65,7 +65,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -62,7 +62,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -55,7 +55,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -52,7 +52,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -67,7 +67,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -64,7 +64,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -57,7 +57,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -54,7 +54,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -57,7 +57,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -54,7 +54,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -138,7 +138,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -135,7 +135,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -57,7 +57,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -54,7 +54,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -59,7 +59,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -56,7 +56,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -64,7 +64,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -61,7 +61,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -54,7 +54,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -51,7 +51,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -59,7 +59,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -54,7 +54,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -57,7 +57,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -54,7 +54,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -55,7 +55,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -52,7 +52,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -55,7 +55,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -52,7 +52,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -90,7 +90,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -87,7 +87,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -135,7 +135,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -132,7 +132,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -70,7 +70,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -67,7 +67,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -100,7 +100,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -97,7 +97,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -80,7 +80,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -77,7 +77,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -88,7 +88,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -85,7 +85,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -84,7 +84,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -81,7 +81,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -154,7 +154,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -151,7 +151,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -66,7 +66,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -63,7 +63,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -52,7 +52,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -49,7 +49,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -60,7 +60,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -57,7 +57,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -54,7 +54,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -51,7 +51,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -58,7 +58,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -55,7 +55,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -29,7 +29,7 @@ command to the screen and/or log file as it is read and processed. If
an input script has errors, it can be useful to look at echoed output
to see the last command processed.
</P>
<P>The <A HREF = "Section_start.html#start_4">command-line switch</A> -echo can be used
<P>The <A HREF = "Section_start.html#start_5">command-line switch</A> -echo can be used
in place of this command.
</P>
<P><B>Restrictions:</B> none

View File

@ -26,7 +26,7 @@ command to the screen and/or log file as it is read and processed. If
an input script has errors, it can be useful to look at echoed output
to see the last command processed.
The "command-line switch"_Section_start.html#start_4 -echo can be used
The "command-line switch"_Section_start.html#start_5 -echo can be used
in place of this command.
[Restrictions:] none

View File

@ -121,7 +121,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -111,7 +111,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -87,7 +87,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -77,7 +77,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -44,7 +44,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -41,7 +41,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -46,7 +46,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -43,7 +43,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -104,7 +104,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -95,7 +95,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -385,7 +385,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -376,7 +376,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -45,7 +45,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -42,7 +42,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -66,7 +66,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -58,7 +58,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -83,7 +83,7 @@ those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -73,7 +73,7 @@ section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -88,7 +88,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -78,7 +78,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -113,7 +113,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -102,7 +102,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -109,7 +109,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -106,7 +106,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

View File

@ -118,7 +118,7 @@ only enabled if LAMMPS was built with that package. See the <A HREF = "Section_
LAMMPS</A> section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_6">-suffix command-line
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>

View File

@ -114,7 +114,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
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

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