git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10893 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -86,9 +86,9 @@ as described in the next section.
|
||||
|
||||
<P>Building LAMMPS can be non-trivial. You may need to edit a makefile,
|
||||
there are compiler options to consider, additional libraries can be
|
||||
used (MPI, FFT, JPEG), LAMMPS packages may be included or excluded,
|
||||
some of these packages use auxiliary libraries which need to be
|
||||
pre-built, etc.
|
||||
used (MPI, FFT, JPEG, PNG), LAMMPS packages may be included or
|
||||
excluded, some of these packages use auxiliary libraries which need to
|
||||
be pre-built, etc.
|
||||
</P>
|
||||
<P>Please read this section carefully. If you are not comfortable with
|
||||
makefiles, or building codes on a Unix platform, or running an MPI job
|
||||
@ -188,6 +188,7 @@ within the LAMMPS code. The options that are currently recogized are:
|
||||
</P>
|
||||
<UL><LI>-DLAMMPS_GZIP
|
||||
<LI>-DLAMMPS_JPEG
|
||||
<LI>-DLAMMPS_PNG
|
||||
<LI>-DLAMMPS_MEMALIGN
|
||||
<LI>-DLAMMPS_XDR
|
||||
<LI>-DLAMMPS_SMALLBIG
|
||||
@ -203,9 +204,13 @@ compile with -DLAMMPS_GZIP. It requires that your Unix support the
|
||||
"popen" command.
|
||||
</P>
|
||||
<P>If you use -DLAMMPS_JPEG, the <A HREF = "dump.html">dump image</A> command will be
|
||||
able to write out JPEG image files. If not, it will only be able to
|
||||
write out text-based PPM image files. For JPEG files, you must also
|
||||
link LAMMPS with a JPEG library, as described below.
|
||||
able to write out JPEG image files. For JPEG files, you must also link
|
||||
LAMMPS with a JPEG library, as described below. If you use
|
||||
-DLAMMPS_PNG, the <A HREF = "dump.html">dump image</A> command will be able to write
|
||||
out PNG image files. For PNG files, you must also link LAMMPS with a
|
||||
PNG library, as described below. If neither of those two defines are
|
||||
used, LAMMPS will only be able to write out text-based PPM image
|
||||
files.
|
||||
</P>
|
||||
<P>Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
|
||||
posix_memalign() call instead of malloc() when large chunks or memory
|
||||
@ -349,16 +354,23 @@ been tested with the FFTW3, FFTW2, MKL, and KISS FFT options.
|
||||
</P>
|
||||
<P><B>Step 7</B>
|
||||
</P>
|
||||
<P>The 3 JPG variables allow you to specify a JPEG library which LAMMPS
|
||||
uses when writing out JPEG files via the <A HREF = "dump_image.html">dump image</A>
|
||||
command. These can be left blank if you do not use the -DLAMMPS_JPEG
|
||||
switch discussed above in Step 4, since in that case JPEG output will
|
||||
be disabled.
|
||||
<P>The 3 JPG variables allow you to specify a JPEG and/or PNG library
|
||||
which LAMMPS uses when writing out JPEG or PNG files via the <A HREF = "dump_image.html">dump
|
||||
image</A> command. These can be left blank if you do not
|
||||
use the -DLAMMPS_JPEG or -DLAMMPS_PNG switches discussed above in Step
|
||||
4, since in that case JPEG/PNG output will be disabled.
|
||||
</P>
|
||||
<P>A standard JPEG library usually goes by the name libjpeg.a and has an
|
||||
associated header file jpeglib.h. Whichever JPEG library you have on
|
||||
your platform, you'll need to set the appropriate JPG_INC, JPG_PATH,
|
||||
and JPG_LIB variables, so that the compiler and linker can find it.
|
||||
<P>A standard JPEG library usually goes by the name libjpeg.a or
|
||||
libjpeg.so and has an associated header file jpeglib.h. Whichever
|
||||
JPEG library you have on your platform, you'll need to set the
|
||||
appropriate JPG_INC, JPG_PATH, and JPG_LIB variables, so that the
|
||||
compiler and linker can find it.
|
||||
</P>
|
||||
<P>A standard PNG library usually goes by the name libpng.a or libpng.so
|
||||
and has an associated header file png.h. Whichever PNG library you
|
||||
have on your platform, you'll need to set the appropriate JPG_INC,
|
||||
JPG_PATH, and JPG_LIB variables, so that the compiler and linker can
|
||||
find it.
|
||||
</P>
|
||||
<P>As before, if these header and library files are in the usual place on
|
||||
your machine, you may not need to set these variables.
|
||||
@ -1252,8 +1264,8 @@ defining index and other kinds of variables and <A HREF = "Section_commands.html
|
||||
section</A> for more info on using variables
|
||||
in input scripts.
|
||||
</P>
|
||||
<P>IMPORTANT NOTE: Currently, the command-line parser looks for arguments
|
||||
that start with "-" to indicate new switches. Thus you cannot specify
|
||||
<P>NOTE: Currently, the command-line parser looks for arguments that
|
||||
start with "-" to indicate new switches. Thus you cannot specify
|
||||
multiple variable values if any of they start with a "-", e.g. a
|
||||
negative numeric value. It is OK if the first value1 starts with a
|
||||
"-", since it is automatically skipped.
|
||||
|
||||
@ -80,9 +80,9 @@ This section has the following sub-sections:
|
||||
|
||||
Building LAMMPS can be non-trivial. You may need to edit a makefile,
|
||||
there are compiler options to consider, additional libraries can be
|
||||
used (MPI, FFT, JPEG), LAMMPS packages may be included or excluded,
|
||||
some of these packages use auxiliary libraries which need to be
|
||||
pre-built, etc.
|
||||
used (MPI, FFT, JPEG, PNG), LAMMPS packages may be included or
|
||||
excluded, some of these packages use auxiliary libraries which need to
|
||||
be pre-built, etc.
|
||||
|
||||
Please read this section carefully. If you are not comfortable with
|
||||
makefiles, or building codes on a Unix platform, or running an MPI job
|
||||
@ -182,6 +182,7 @@ within the LAMMPS code. The options that are currently recogized are:
|
||||
|
||||
-DLAMMPS_GZIP
|
||||
-DLAMMPS_JPEG
|
||||
-DLAMMPS_PNG
|
||||
-DLAMMPS_MEMALIGN
|
||||
-DLAMMPS_XDR
|
||||
-DLAMMPS_SMALLBIG
|
||||
@ -197,9 +198,13 @@ compile with -DLAMMPS_GZIP. It requires that your Unix support the
|
||||
"popen" command.
|
||||
|
||||
If you use -DLAMMPS_JPEG, the "dump image"_dump.html command will be
|
||||
able to write out JPEG image files. If not, it will only be able to
|
||||
write out text-based PPM image files. For JPEG files, you must also
|
||||
link LAMMPS with a JPEG library, as described below.
|
||||
able to write out JPEG image files. For JPEG files, you must also link
|
||||
LAMMPS with a JPEG library, as described below. If you use
|
||||
-DLAMMPS_PNG, the "dump image"_dump.html command will be able to write
|
||||
out PNG image files. For PNG files, you must also link LAMMPS with a
|
||||
PNG library, as described below. If neither of those two defines are
|
||||
used, LAMMPS will only be able to write out text-based PPM image
|
||||
files.
|
||||
|
||||
Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
|
||||
posix_memalign() call instead of malloc() when large chunks or memory
|
||||
@ -343,16 +348,23 @@ been tested with the FFTW3, FFTW2, MKL, and KISS FFT options.
|
||||
|
||||
[Step 7]
|
||||
|
||||
The 3 JPG variables allow you to specify a JPEG library which LAMMPS
|
||||
uses when writing out JPEG files via the "dump image"_dump_image.html
|
||||
command. These can be left blank if you do not use the -DLAMMPS_JPEG
|
||||
switch discussed above in Step 4, since in that case JPEG output will
|
||||
be disabled.
|
||||
The 3 JPG variables allow you to specify a JPEG and/or PNG library
|
||||
which LAMMPS uses when writing out JPEG or PNG files via the "dump
|
||||
image"_dump_image.html command. These can be left blank if you do not
|
||||
use the -DLAMMPS_JPEG or -DLAMMPS_PNG switches discussed above in Step
|
||||
4, since in that case JPEG/PNG output will be disabled.
|
||||
|
||||
A standard JPEG library usually goes by the name libjpeg.a and has an
|
||||
associated header file jpeglib.h. Whichever JPEG library you have on
|
||||
your platform, you'll need to set the appropriate JPG_INC, JPG_PATH,
|
||||
and JPG_LIB variables, so that the compiler and linker can find it.
|
||||
A standard JPEG library usually goes by the name libjpeg.a or
|
||||
libjpeg.so and has an associated header file jpeglib.h. Whichever
|
||||
JPEG library you have on your platform, you'll need to set the
|
||||
appropriate JPG_INC, JPG_PATH, and JPG_LIB variables, so that the
|
||||
compiler and linker can find it.
|
||||
|
||||
A standard PNG library usually goes by the name libpng.a or libpng.so
|
||||
and has an associated header file png.h. Whichever PNG library you
|
||||
have on your platform, you'll need to set the appropriate JPG_INC,
|
||||
JPG_PATH, and JPG_LIB variables, so that the compiler and linker can
|
||||
find it.
|
||||
|
||||
As before, if these header and library files are in the usual place on
|
||||
your machine, you may not need to set these variables.
|
||||
@ -1243,8 +1255,8 @@ defining index and other kinds of variables and "this
|
||||
section"_Section_commands.html#cmd_2 for more info on using variables
|
||||
in input scripts.
|
||||
|
||||
IMPORTANT NOTE: Currently, the command-line parser looks for arguments
|
||||
that start with "-" to indicate new switches. Thus you cannot specify
|
||||
NOTE: Currently, the command-line parser looks for arguments that
|
||||
start with "-" to indicate new switches. Thus you cannot specify
|
||||
multiple variable values if any of they start with a "-", e.g. a
|
||||
negative numeric value. It is OK if the first value1 starts with a
|
||||
"-", since it is automatically skipped.
|
||||
|
||||
@ -82,13 +82,13 @@
|
||||
<P><B>Description:</B>
|
||||
</P>
|
||||
<P>Dump a high-quality ray-traced image of the atom configuration every N
|
||||
timesteps as either a JPG or PPM file. The options for this command
|
||||
as well as the <A HREF = "dump_modify.html">dump_modify</A> command control what is
|
||||
included in the image and how it appears. A series of such images can
|
||||
easily be converted into an animated movie of your simulation; see
|
||||
further details below. Other dump styles store snapshots of numerical
|
||||
data asociated with atoms in various formats, as discussed on the
|
||||
<A HREF = "dump.html">dump</A> doc page.
|
||||
timesteps as either a JPG or PNG or PPM file. The options for this
|
||||
command as well as the <A HREF = "dump_modify.html">dump_modify</A> command control
|
||||
what is included in the image and how it appears. A series of such
|
||||
images can easily be converted into an animated movie of your
|
||||
simulation; see further details below. Other dump styles store
|
||||
snapshots of numerical data asociated with atoms in various formats,
|
||||
as discussed on the <A HREF = "dump.html">dump</A> doc page.
|
||||
</P>
|
||||
<P>Here are two sample images, rendered as 1024x1024 JPG files. Click to
|
||||
see the full-size images:
|
||||
@ -103,7 +103,17 @@ see the full-size images:
|
||||
|
||||
<P>Only atoms in the specified group are rendered in the image. The
|
||||
<A HREF = "dump_modify.html">dump_modify region and thresh</A> commands can also
|
||||
alter what atoms are included in the image.
|
||||
alter what atoms are included in the image.</P>
|
||||
<P>The filename suffix determines whether a JPEG, PNG, or PPM file is
|
||||
created. If the suffix is ".jpg" or ".jpeg", then a JPEG format file
|
||||
is created, if the suffix is ".png", then a PNG format is created,
|
||||
else a PPM (aka NETPBM) format file is created. The JPG and PNG files
|
||||
are binary; PPM is a text file. JPG images have lossy compression;
|
||||
PNG and PPM formats have lossless compression. To write out JPEG and
|
||||
PNG format files, you must build LAMMPS with support for the
|
||||
corresponding JPEG or PNG library. See <A HREF = "Section_start.html#start_2_4">this
|
||||
section</A> of the manual for instructions
|
||||
on how to do this.
|
||||
</P>
|
||||
<P>The filename suffix determines whether a JPG or PPM file is created.
|
||||
If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a
|
||||
|
||||
@ -69,13 +69,13 @@ dump myDump all image 100 dump.*.jpg type type :pre
|
||||
[Description:]
|
||||
|
||||
Dump a high-quality ray-traced image of the atom configuration every N
|
||||
timesteps as either a JPG or PPM file. The options for this command
|
||||
as well as the "dump_modify"_dump_modify.html command control what is
|
||||
included in the image and how it appears. A series of such images can
|
||||
easily be converted into an animated movie of your simulation; see
|
||||
further details below. Other dump styles store snapshots of numerical
|
||||
data asociated with atoms in various formats, as discussed on the
|
||||
"dump"_dump.html doc page.
|
||||
timesteps as either a JPG or PNG or PPM file. The options for this
|
||||
command as well as the "dump_modify"_dump_modify.html command control
|
||||
what is included in the image and how it appears. A series of such
|
||||
images can easily be converted into an animated movie of your
|
||||
simulation; see further details below. Other dump styles store
|
||||
snapshots of numerical data asociated with atoms in various formats,
|
||||
as discussed on the "dump"_dump.html doc page.
|
||||
|
||||
Here are two sample images, rendered as 1024x1024 JPG files. Click to
|
||||
see the full-size images:
|
||||
@ -89,7 +89,18 @@ see the full-size images:
|
||||
|
||||
Only atoms in the specified group are rendered in the image. The
|
||||
"dump_modify region and thresh"_dump_modify.html commands can also
|
||||
alter what atoms are included in the image.
|
||||
alter what atoms are included in the image.\
|
||||
|
||||
The filename suffix determines whether a JPEG, PNG, or PPM file is
|
||||
created. If the suffix is ".jpg" or ".jpeg", then a JPEG format file
|
||||
is created, if the suffix is ".png", then a PNG format is created,
|
||||
else a PPM (aka NETPBM) format file is created. The JPG and PNG files
|
||||
are binary; PPM is a text file. JPG images have lossy compression;
|
||||
PNG and PPM formats have lossless compression. To write out JPEG and
|
||||
PNG format files, you must build LAMMPS with support for the
|
||||
corresponding JPEG or PNG library. See "this
|
||||
section"_Section_start.html#start_2_4 of the manual for instructions
|
||||
on how to do this.
|
||||
|
||||
The filename suffix determines whether a JPG or PPM file is created.
|
||||
If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a
|
||||
|
||||
Reference in New Issue
Block a user