From b754d37a02e469e950da793dd3456d7def744442 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 11 Feb 2011 15:28:32 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5626 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_start.html | 21 +++++++++++++-------- doc/Section_start.txt | 21 +++++++++++++-------- doc/compute_pair.html | 6 +++--- doc/compute_pair.txt | 6 +++--- 4 files changed, 32 insertions(+), 22 deletions(-) diff --git a/doc/Section_start.html b/doc/Section_start.html index 5715339297..d157bf079f 100644 --- a/doc/Section_start.html +++ b/doc/Section_start.html @@ -646,19 +646,24 @@ 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 
+cp lmp_linux ../bench
+cd ../bench
+mpirun -np 4 lmp_linux < in.lj
+

See this page for timings for this and the other benchmarks +on various platforms. +

+ +

On a Windows machine, you can skip making LAMMPS and simply download diff --git a/doc/Section_start.txt b/doc/Section_start.txt index 1b1769046c..10a5a3ba84 100644 --- a/doc/Section_start.txt +++ b/doc/Section_start.txt @@ -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 diff --git a/doc/compute_pair.html b/doc/compute_pair.html index fbb946c8dd..b59204428f 100644 --- a/doc/compute_pair.html +++ b/doc/compute_pair.html @@ -18,7 +18,7 @@

Examples:

@@ -39,7 +39,7 @@ hybrid/overlay 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 @@ -59,7 +59,7 @@ 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 diff --git a/doc/compute_pair.txt b/doc/compute_pair.txt index 3cca4656c2..c1144013da 100644 --- a/doc/compute_pair.txt +++ b/doc/compute_pair.txt @@ -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