git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15078 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -450,10 +450,9 @@ machine or small cluster where you will never run large systems or for
|
||||
long time (more than 2 billion atoms, more than 2 billion timesteps).
|
||||
See the <a class="reference internal" href="#start-2-4"><span class="std std-ref">Additional build tips</span></a> section below for more
|
||||
details on these settings.</p>
|
||||
<p>Note that two packages, USER-ATC and USER-CUDA are not currently
|
||||
compatible with -DLAMMPS_BIGBIG. Also the GPU package requires the
|
||||
lib/gpu library to be compiled with the same setting, or the link will
|
||||
fail.</p>
|
||||
<p>Note that the USER-ATC package is not currently compatible with
|
||||
-DLAMMPS_BIGBIG. Also the GPU package requires the lib/gpu library to
|
||||
be compiled with the same setting, or the link will fail.</p>
|
||||
<p>The -DLAMMPS_LONGLONG_TO_LONG setting may be needed if your system or
|
||||
MPI version does not recognize “long long” data types. In this case a
|
||||
“long” data type is likely already 64-bits, in which case this setting
|
||||
@ -1281,7 +1280,6 @@ more processors or setup a smaller problem.</p>
|
||||
which may be used in any order. Either the full word or a one-or-two
|
||||
letter abbreviation can be used:</p>
|
||||
<ul class="simple">
|
||||
<li>-c or -cuda</li>
|
||||
<li>-e or -echo</li>
|
||||
<li>-h or -help</li>
|
||||
<li>-i or -in</li>
|
||||
@ -1304,16 +1302,6 @@ letter abbreviation can be used:</p>
|
||||
</pre></div>
|
||||
</div>
|
||||
<p>Here are the details on the options:</p>
|
||||
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="o">-</span><span class="n">cuda</span> <span class="n">on</span><span class="o">/</span><span class="n">off</span>
|
||||
</pre></div>
|
||||
</div>
|
||||
<p>Explicitly enable or disable CUDA support, as provided by the
|
||||
USER-CUDA package. Even if LAMMPS is built with this package, as
|
||||
described above in <a class="reference internal" href="#start-3"><span class="std std-ref">Section 2.3</span></a>, this switch must be set to
|
||||
enable running with the CUDA-enabled styles the package provides. If
|
||||
the switch is not set (the default), LAMMPS will operate as if the
|
||||
USER-CUDA package were not installed; i.e. you can run standard LAMMPS
|
||||
or with the GPU package, for testing or benchmarking purposes.</p>
|
||||
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="o">-</span><span class="n">echo</span> <span class="n">style</span>
|
||||
</pre></div>
|
||||
</div>
|
||||
@ -1353,8 +1341,7 @@ above in <a class="reference internal" href="#start-3"><span class="std std-ref"
|
||||
running with the KOKKOS-enabled styles the package provides. If the
|
||||
switch is not set (the default), LAMMPS will operate as if the KOKKOS
|
||||
package were not installed; i.e. you can run standard LAMMPS or with
|
||||
the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking
|
||||
purposes.</p>
|
||||
the GPU or USER-OMP packages, for testing or benchmarking purposes.</p>
|
||||
<p>Additional optional keyword/value pairs can be specified which
|
||||
determine how Kokkos will use the underlying hardware on your
|
||||
platform. These settings apply to each MPI task you launch via the
|
||||
@ -1616,31 +1603,31 @@ partition screen files file.N.</p>
|
||||
</pre></div>
|
||||
</div>
|
||||
<p>Use variants of various styles if they exist. The specified style can
|
||||
be <em>cuda</em>, <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, <em>opt</em>, or <em>hybrid</em>. These refer
|
||||
to optional packages that LAMMPS can be built with, as described above in
|
||||
<a class="reference internal" href="#start-3"><span class="std std-ref">Section 2.3</span></a>. The “cuda” style corresponds to the USER-CUDA
|
||||
package, the “gpu” style to the GPU package, the “intel” style to the
|
||||
USER-INTEL package, the “kk” style to the KOKKOS package, the “opt”
|
||||
style to the OPT package, and the “omp” style to the USER-OMP package. The
|
||||
hybrid style is the only style that accepts arguments. It allows for two
|
||||
packages to be specified. The first package specified is the default and
|
||||
will be used if it is available. If no style is available for the first
|
||||
package, the style for the second package will be used if available. For
|
||||
example, “-suffix hybrid intel omp” will use styles from the USER-INTEL
|
||||
package if they are installed and available, but styles for the USER-OMP
|
||||
package otherwise.</p>
|
||||
be <em>cuda</em>, <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, <em>opt</em>, or <em>hybrid</em>. These
|
||||
refer to optional packages that LAMMPS can be built with, as described
|
||||
above in <a class="reference internal" href="#start-3"><span class="std std-ref">Section 2.3</span></a>. The “gpu” style corresponds to the
|
||||
GPU package, the “intel” style to the USER-INTEL package, the “kk”
|
||||
style to the KOKKOS package, the “opt” style to the OPT package, and
|
||||
the “omp” style to the USER-OMP package. The hybrid style is the only
|
||||
style that accepts arguments. It allows for two packages to be
|
||||
specified. The first package specified is the default and will be used
|
||||
if it is available. If no style is available for the first package,
|
||||
the style for the second package will be used if available. For
|
||||
example, “-suffix hybrid intel omp” will use styles from the
|
||||
USER-INTEL package if they are installed and available, but styles for
|
||||
the USER-OMP package otherwise.</p>
|
||||
<p>Along with the “-package” command-line switch, this is a convenient
|
||||
mechanism for invoking accelerator packages and their options without
|
||||
having to edit an input script.</p>
|
||||
<p>As an example, all of the packages provide a <a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut</span></a> variant, with style names lj/cut/cuda,
|
||||
lj/cut/gpu, lj/cut/intel, lj/cut/kk, lj/cut/omp, and lj/cut/opt. A
|
||||
variant style can be specified explicitly in your input script,
|
||||
e.g. pair_style lj/cut/gpu. If the -suffix switch is used the
|
||||
specified suffix (cuda,gpu,intel,kk,omp,opt) is automatically appended
|
||||
whenever your input script command creates a new
|
||||
<a class="reference internal" href="atom_style.html"><span class="doc">atom</span></a>, <a class="reference internal" href="pair_style.html"><span class="doc">pair</span></a>, <a class="reference internal" href="fix.html"><span class="doc">fix</span></a>,
|
||||
<a class="reference internal" href="compute.html"><span class="doc">compute</span></a>, or <a class="reference internal" href="run_style.html"><span class="doc">run</span></a> style. If the variant
|
||||
version does not exist, the standard version is created.</p>
|
||||
<p>As an example, all of the packages provide a <a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut</span></a> variant, with style names lj/cut/gpu,
|
||||
lj/cut/intel, lj/cut/kk, lj/cut/omp, and lj/cut/opt. A variant style
|
||||
can be specified explicitly in your input script, e.g. pair_style
|
||||
lj/cut/gpu. If the -suffix switch is used the specified suffix
|
||||
(cuda,gpu,intel,kk,omp,opt) is automatically appended whenever your
|
||||
input script command creates a new <a class="reference internal" href="atom_style.html"><span class="doc">atom</span></a>,
|
||||
<a class="reference internal" href="pair_style.html"><span class="doc">pair</span></a>, <a class="reference internal" href="fix.html"><span class="doc">fix</span></a>, <a class="reference internal" href="compute.html"><span class="doc">compute</span></a>, or
|
||||
<a class="reference internal" href="run_style.html"><span class="doc">run</span></a> style. If the variant version does not exist,
|
||||
the standard version is created.</p>
|
||||
<p>For the GPU package, using this command-line switch also invokes the
|
||||
default GPU settings, as if the command “package gpu 1” were used at
|
||||
the top of your input script. These settings can be changed by using
|
||||
|
||||
Reference in New Issue
Block a user