ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7547 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-01-12 19:12:10 +00:00
parent ec06aed001
commit cc84c41ef0
1 changed files with 18 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

28
examples/README
View File

@ -4,8 +4,9 @@ Each of these sub-directories contains a sample problem you can run
with LAMMPS. Most are 2d models so that they run quickly, requiring a with LAMMPS. Most are 2d models so that they run quickly, requiring a
few seconds to a few minutes to run on a desktop machine. Each few seconds to a few minutes to run on a desktop machine. Each
problem has an input script (in.*) and produces a log file (log.*) and problem has an input script (in.*) and produces a log file (log.*) and
dump file (dump.*) when it runs. Some use a data file (data.*) of (optionally) a dump file (dump.*) or image files (image.*) when it
initial coordinates as additional input. runs. Some use a data file (data.*) of initial coordinates as
additional input.
A few sample log file outputs on different machines and different A few sample log file outputs on different machines and different
numbers of processors are included in the directories to compare your numbers of processors are included in the directories to compare your
@ -17,11 +18,6 @@ identical answers to those in the log of dump files included here.
See the Errors section of the LAMMPS documentation for more See the Errors section of the LAMMPS documentation for more
discussion. discussion.
The dump files produced by the example runs can be animated using the
xmovie tool described in the "Additional Tools" section of the LAMMPS
documentation. Animations of many of these examples can be viewed on
the Movies section of the LAMMPS WWW Site.
These are the sample problems and their output in the various These are the sample problems and their output in the various
sub-directories: sub-directories:
@ -61,10 +57,22 @@ cd indent
cp ../../src/lmp_linux . # copy LAMMPS executable to this dir cp ../../src/lmp_linux . # copy LAMMPS executable to this dir
lmp_linux < in.indent # run the problem lmp_linux < in.indent # run the problem
Running the simulation produces the files dump.indent and log.lammps. If you uncomment the dump atom (or dump custom or dump cfg) line(s) in
You can visualize the dump file as follows: the input script a dump.* file will be produced by the run. These can
be animated using tools like VMD or AtomEye, or the xmovie tool
described in the "Additional Tools" section of the LAMMPS
documentation, e.g.
../../tools/xmovie/xmovie -scale dump.indent % ../../tools/xmovie/xmovie -scale dump.indent
If you uncomment the dump image line(s) in the input script a series
of JPG images will be produced by the run. These can be viewed
individually or turned into a movie or animated by tools like
ImageMagick or QuickTime or various Windows-based tools. See the dump
image doc page for more details. E.g. this Imagemagick command would
create a GIF file suitable for viewing in a browser.
% convert -loop 1 *.jpg foo.gif
------------------------------------------ ------------------------------------------