updates in "Getting Started" for running on Windows.

the downloaded file with the following commands, after placing the

tarball in an appropriate directory.</p>

<pre class="literal-block">

gunzip lammps*.tar.gz

tar xvf lammps*.tar

tar -xzvf lammps*.tar.gz

</pre>

<p>This will create a LAMMPS directory containing two files and several

sub-directories:</p>

</tbody>

</table>

<p>Note that the <a class="reference external" href="http://lammps.sandia.gov/download.html">download page</a> also has links to download

Windows exectubles and installers, as well as pre-built executables

for a few specific Linux distributions.  It also has instructions for

how to download/install LAMMPS for Macs (via Homebrew), and to

pre-build Windows installers, as well as pre-built packages for

several widely used Linux distributions.  It also has instructions

for how to download/install LAMMPS for Macs (via Homebrew), and to

download and update LAMMPS from SVN and Git repositories, which gives

you the same files that are in the download tarball.</p>

<p>The Windows and Linux executables for serial or parallel only include

certain packages and bug-fixes/upgrades listed on <a class="reference external" href="http://lammps.sandia.gov/bug.html">this page</a> up to a certain date, as

you access to the up-to-date sources that are used by the LAMMPS

core developers.</p>

<p>The Windows and Linux packages for serial or parallel include

only selected packages and bug-fixes/upgrades listed on <a class="reference external" href="http://lammps.sandia.gov/bug.html">this page</a> up to a certain date, as

stated on the download page.  If you want an executable with

non-included packages or that is more current, then you’ll need to

build LAMMPS yourself, as discussed in the next section.</p>

LAMMPS to be built with one or more of its optional packages.</p>

<hr class="docutils" />

<p>On a Windows box, you can skip making LAMMPS and simply download an

executable, as described above, though the pre-packaged executables

include only certain packages.</p>

<p>To run a LAMMPS executable on a Windows machine, first decide whether

you want to download the non-MPI (serial) or the MPI (parallel)

version of the executable. Download and save the version you have

chosen.</p>

<p>For the non-MPI version, follow these steps:</p>

installer package from <a class="reference external" href="http://rpm.lammps.org/windows.html">here</a></p>

<p>For running the non-MPI executable, follow these steps:</p>

<ul class="simple">

<li>Get a command prompt by going to Start-&gt;Run... ,

then typing &#8220;cmd&#8221;.</li>

<li>Move to the directory where you have saved lmp_win_no-mpi.exe

(e.g. by typing: cd &#8220;Documents&#8221;).</li>

<li>At the command prompt, type &#8220;lmp_win_no-mpi -in in.lj&#8221;, replacing in.lj

<li>Move to the directory where you have your input, e.g. a copy of

the <strong>in.lj</strong> input from the bench folder. (e.g. by typing: cd &#8220;Documents&#8221;).</li>

<li>At the command prompt, type &#8220;lmp_serial -in in.lj&#8221;, replacing <strong>in.lj</strong>

with the name of your LAMMPS input script.</li>

</ul>

<p>For the MPI version, which allows you to run LAMMPS under Windows on

<li>Download and install

<a class="reference external" href="http://www.mcs.anl.gov/research/projects/mpich2/downloads/index.php?s=downloads">MPICH2</a>

for Windows.</li>

<li>You&#8217;ll need to use the mpiexec.exe and smpd.exe files from the MPICH2

package. Put them in same directory (or path) as the LAMMPS Windows

executable.</li>

<li>Get a command prompt by going to Start-&gt;Run... ,

</ul>

<p>The LAMMPS Windows installer packages will automatically adjust your

path for the default location of this MPI package. After the installation

of the MPICH software, it needs to be integrated into the system.

For this you need to start a Command Prompt in <em>Administrator Mode</em>

(right click on the icon and select it). Change into the MPICH2

installation directory, then into the subdirectory <strong>bin</strong> and execute

<strong>smpd.exe -install</strong>. Exit the command window.</p>

<ul class="simple">

<li>Get a new, regular command prompt by going to Start-&gt;Run... ,

then typing &#8220;cmd&#8221;.</li>

<li>Move to the directory where you have saved lmp_win_mpi.exe

<li>Move to the directory where you have your input file

(e.g. by typing: cd &#8220;Documents&#8221;).</li>

<li>Then type something like this: &#8220;mpiexec -localonly 4 lmp_win_mpi -in

in.lj&#8221;, replacing in.lj with the name of your LAMMPS input script.</li>

<li>Note that you may need to provide smpd with a passphrase (it doesn&#8217;t

matter what you type).</li>

</ul>

<p>Then type something like this:</p>

<pre class="literal-block">

mpiexec -localonly 4 lmp_mpi -in in.lj

</pre>

<p>or</p>

<pre class="literal-block">

mpiexec -np 4 lmp_mpi -in in.lj

</pre>

<ul class="simple">

<li>replacing in.lj with the name of your LAMMPS input script. For the latter

case, you may be prompted to enter your password.</li>

<li>In this mode, output may not immediately show up on the screen, so if

your input script takes a long time to execute, you may need to be

patient before the output shows up.  Alternatively, you can still

use this executable to run on a single processor by typing something

like: &#8220;lmp_win_mpi -in in.lj&#8221;.</li>

patient before the output shows up.</li>

</ul>

<p>The parallel executable can also run on a single processor by typing

something like:</p>

<pre class="literal-block">

lmp_mpi -in in.lj

</pre>

<hr class="docutils" />

<p>The screen output from LAMMPS is described in a section below.  As it

runs, LAMMPS also writes a log.lammps file with the same information.</p>

the downloaded file with the following commands, after placing the

tarball in an appropriate directory.

gunzip lammps*.tar.gz 

tar xvf lammps*.tar :pre

tar -xzvf lammps*.tar.gz :pre

This will create a LAMMPS directory containing two files and several

sub-directories:

tools: pre- and post-processing tools :tb(s=:)

Note that the "download page"_download also has links to download

Windows exectubles and installers, as well as pre-built executables

for a few specific Linux distributions.  It also has instructions for

how to download/install LAMMPS for Macs (via Homebrew), and to

pre-build Windows installers, as well as pre-built packages for

several widely used Linux distributions.  It also has instructions

for how to download/install LAMMPS for Macs (via Homebrew), and to

download and update LAMMPS from SVN and Git repositories, which gives

you the same files that are in the download tarball.

you access to the up-to-date sources that are used by the LAMMPS

core developers.

:link(download,http://lammps.sandia.gov/download.html)

The Windows and Linux executables for serial or parallel only include

certain packages and bug-fixes/upgrades listed on "this

The Windows and Linux packages for serial or parallel include

only selected packages and bug-fixes/upgrades listed on "this

page"_http://lammps.sandia.gov/bug.html up to a certain date, as

stated on the download page.  If you want an executable with

non-included packages or that is more current, then you'll need to

:line

On a Windows box, you can skip making LAMMPS and simply download an

executable, as described above, though the pre-packaged executables

include only certain packages.

installer package from "here"_http://rpm.lammps.org/windows.html

To run a LAMMPS executable on a Windows machine, first decide whether

you want to download the non-MPI (serial) or the MPI (parallel)

version of the executable. Download and save the version you have

chosen.

For the non-MPI version, follow these steps:

For running the non-MPI executable, follow these steps:

Get a command prompt by going to Start->Run... , 

then typing "cmd". :ulb,l

Move to the directory where you have saved lmp_win_no-mpi.exe

(e.g. by typing: cd "Documents"). :l

Move to the directory where you have your input, e.g. a copy of

the [in.lj] input from the bench folder. (e.g. by typing: cd "Documents"). :l

At the command prompt, type "lmp_win_no-mpi -in in.lj", replacing in.lj

At the command prompt, type "lmp_serial -in in.lj", replacing [in.lj]

with the name of your LAMMPS input script. :l

:ule

"MPICH2"_http://www.mcs.anl.gov/research/projects/mpich2/downloads/index.php?s=downloads

for Windows. :ulb,l

You'll need to use the mpiexec.exe and smpd.exe files from the MPICH2

package. Put them in same directory (or path) as the LAMMPS Windows

executable. :l

The LAMMPS Windows installer packages will automatically adjust your

path for the default location of this MPI package. After the installation

of the MPICH software, it needs to be integrated into the system.

For this you need to start a Command Prompt in {Administrator Mode}

(right click on the icon and select it). Change into the MPICH2

installation directory, then into the subdirectory [bin] and execute

[smpd.exe -install]. Exit the command window.

Get a command prompt by going to Start->Run... , 

Get a new, regular command prompt by going to Start->Run... , 

then typing "cmd". :l

Move to the directory where you have saved lmp_win_mpi.exe

Move to the directory where you have your input file

(e.g. by typing: cd "Documents"). :l

Then type something like this: "mpiexec -localonly 4 lmp_win_mpi -in

in.lj", replacing in.lj with the name of your LAMMPS input script. :l

Then type something like this:

mpiexec -localonly 4 lmp_mpi -in in.lj :pre

or

mpiexec -np 4 lmp_mpi -in in.lj :pre

Note that you may need to provide smpd with a passphrase (it doesn't

matter what you type). :l

replacing in.lj with the name of your LAMMPS input script. For the latter

case, you may be prompted to enter your password. :l

In this mode, output may not immediately show up on the screen, so if

your input script takes a long time to execute, you may need to be

patient before the output shows up. :l Alternatively, you can still

use this executable to run on a single processor by typing something

like: "lmp_win_mpi -in in.lj". :l

patient before the output shows up. :l

The parallel executable can also run on a single processor by typing

something like:

lmp_mpi -in in.lj :pre

:ule

:line