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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5626 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2011-02-11 15:28:32 +00:00
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21
doc/Section_start.html
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@ -646,19 +646,24 @@ describes how input scripts are structured and what commands they
contain.
</P>
<P>You can test LAMMPS on any of the sample inputs provided in the
examples directory. Input scripts are named in.* and sample outputs
are named log.*.name.P where name is a machine and P is the number of
processors it was run on.
examples or bench directory. Input scripts are named in.* and sample
outputs are named log.*.name.P where name is a machine and P is the
number of processors it was run on.
</P>
<P>Here is how you might run one of the Lennard-Jones tests on a Linux
box, using mpirun to launch a parallel job:
<P>Here is how you might run a standard Lennard-Jones benchmark on a
Linux box, using mpirun to launch a parallel job:
</P>
<PRE>cd src
make linux
cp lmp_linux ../examples/lj
cd ../examples/lj
mpirun -np 4 lmp_linux < in.lj.nve
cp lmp_linux ../bench
cd ../bench
mpirun -np 4 lmp_linux < in.lj
</PRE>
<P>See <A HREF = "http://lammps.sandia.gov/bench.html">this page</A> for timings for this and the other benchmarks
on various platforms.
</P>
<HR>
<P>On a Windows machine, you can skip making LAMMPS and simply download

21
doc/Section_start.txt
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@ -639,18 +639,23 @@ describes how input scripts are structured and what commands they
contain.
You can test LAMMPS on any of the sample inputs provided in the
examples directory. Input scripts are named in.* and sample outputs
are named log.*.name.P where name is a machine and P is the number of
processors it was run on.
examples or bench directory. Input scripts are named in.* and sample
outputs are named log.*.name.P where name is a machine and P is the
number of processors it was run on.
Here is how you might run one of the Lennard-Jones tests on a Linux
box, using mpirun to launch a parallel job:
Here is how you might run a standard Lennard-Jones benchmark on a
Linux box, using mpirun to launch a parallel job:
cd src
make linux
cp lmp_linux ../examples/lj
cd ../examples/lj
mpirun -np 4 lmp_linux < in.lj.nve :pre
cp lmp_linux ../bench
cd ../bench
mpirun -np 4 lmp_linux < in.lj :pre
See "this page"_bench for timings for this and the other benchmarks
on various platforms.
:link(bench,http://lammps.sandia.gov/bench.html)
:line

6
doc/compute_pair.html
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@ -18,7 +18,7 @@
<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
<LI>pair = style name of this compute command
<LI>pstyle = style name of a pair style that calculates additional values
<LI>evalue = <I>epair</I> or <I>evdwl</I> or <I>evoul</I> or blank (optional setting)
<LI>evalue = <I>epair</I> or <I>evdwl</I> or <I>ecoul</I> or blank (optional setting)
</UL>
<P><B>Examples:</B>
</P>
@ -39,7 +39,7 @@ hybrid/overlay</A> command.
</P>
<P>The <I>evalue</I> setting is optional; it may be left off the command. All
pair styles tally a potential energy <I>epair</I> which may be broken into
two parts: <I>evdwl</I> and <I>ecoul</I> such that <I>epair</I> = <I>evdwl</I> + <I>evoul</I>.
two parts: <I>evdwl</I> and <I>ecoul</I> such that <I>epair</I> = <I>evdwl</I> + <I>ecoul</I>.
If the pair style calculates Coulombic interactions, their energy will
be tallied in <I>ecoul</I>. Everything else (whether it is a Lennard-Jones
style van der Waals interaction or not) is tallied in <I>evdwl</I>. If
@ -59,7 +59,7 @@ are stored as a global vector by this compute. See the doc page for
<P><B>Output info:</B>
</P>
<P>This compute calculates a global scalar which is <I>epair</I> or <I>evdwl</I> or
<I>evoul</I>. If the pair style supports it, it also calculates a global
<I>ecoul</I>. If the pair style supports it, it also calculates a global
vector of length >= 1, as determined by the pair style. These values
can be used by any command that uses global scalar or vector values
from a compute as input. See <A HREF = "Section_howto.html#4_15">this section</A>

6
doc/compute_pair.txt
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@ -15,7 +15,7 @@ compute ID group-ID pair pstyle evalue :pre
ID, group-ID are documented in "compute"_compute.html command
pair = style name of this compute command
pstyle = style name of a pair style that calculates additional values
evalue = {epair} or {evdwl} or {evoul} or blank (optional setting) :ul
evalue = {epair} or {evdwl} or {ecoul} or blank (optional setting) :ul
[Examples:]
@ -36,7 +36,7 @@ hybrid/overlay"_pair_hybrid.html command.
The {evalue} setting is optional; it may be left off the command. All
pair styles tally a potential energy {epair} which may be broken into
two parts: {evdwl} and {ecoul} such that {epair} = {evdwl} + {evoul}.
two parts: {evdwl} and {ecoul} such that {epair} = {evdwl} + {ecoul}.
If the pair style calculates Coulombic interactions, their energy will
be tallied in {ecoul}. Everything else (whether it is a Lennard-Jones
style van der Waals interaction or not) is tallied in {evdwl}. If
@ -56,7 +56,7 @@ are stored as a global vector by this compute. See the doc page for
[Output info:]
This compute calculates a global scalar which is {epair} or {evdwl} or
{evoul}. If the pair style supports it, it also calculates a global
{ecoul}. If the pair style supports it, it also calculates a global
vector of length >= 1, as determined by the pair style. These values
can be used by any command that uses global scalar or vector values
from a compute as input. See "this section"_Section_howto.html#4_15