git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10893 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-10-30 15:10:46 +00:00
parent 86e30ba171
commit 64614a1657
4 changed files with 95 additions and 50 deletions

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@ -86,9 +86,9 @@ as described in the next section.
<P>Building LAMMPS can be non-trivial. You may need to edit a makefile, <P>Building LAMMPS can be non-trivial. You may need to edit a makefile,
there are compiler options to consider, additional libraries can be there are compiler options to consider, additional libraries can be
used (MPI, FFT, JPEG), LAMMPS packages may be included or excluded, used (MPI, FFT, JPEG, PNG), LAMMPS packages may be included or
some of these packages use auxiliary libraries which need to be excluded, some of these packages use auxiliary libraries which need to
pre-built, etc. be pre-built, etc.
</P> </P>
<P>Please read this section carefully. If you are not comfortable with <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 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> </P>
<UL><LI>-DLAMMPS_GZIP <UL><LI>-DLAMMPS_GZIP
<LI>-DLAMMPS_JPEG <LI>-DLAMMPS_JPEG
<LI>-DLAMMPS_PNG
<LI>-DLAMMPS_MEMALIGN <LI>-DLAMMPS_MEMALIGN
<LI>-DLAMMPS_XDR <LI>-DLAMMPS_XDR
<LI>-DLAMMPS_SMALLBIG <LI>-DLAMMPS_SMALLBIG
@ -203,9 +204,13 @@ compile with -DLAMMPS_GZIP. It requires that your Unix support the
"popen" command. "popen" command.
</P> </P>
<P>If you use -DLAMMPS_JPEG, the <A HREF = "dump.html">dump image</A> command will be <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 able to write out JPEG image files. For JPEG files, you must also link
write out text-based PPM image files. For JPEG files, you must also LAMMPS with a JPEG library, as described below. If you use
link LAMMPS with a JPEG library, as described below. -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>
<P>Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the <P>Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
posix_memalign() call instead of malloc() when large chunks or memory 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>
<P><B>Step 7</B> <P><B>Step 7</B>
</P> </P>
<P>The 3 JPG variables allow you to specify a JPEG library which LAMMPS <P>The 3 JPG variables allow you to specify a JPEG and/or PNG library
uses when writing out JPEG files via the <A HREF = "dump_image.html">dump image</A> which LAMMPS uses when writing out JPEG or PNG files via the <A HREF = "dump_image.html">dump
command. These can be left blank if you do not use the -DLAMMPS_JPEG image</A> command. These can be left blank if you do not
switch discussed above in Step 4, since in that case JPEG output will use the -DLAMMPS_JPEG or -DLAMMPS_PNG switches discussed above in Step
be disabled. 4, since in that case JPEG/PNG output will be disabled.
</P> </P>
<P>A standard JPEG library usually goes by the name libjpeg.a and has an <P>A standard JPEG library usually goes by the name libjpeg.a or
associated header file jpeglib.h. Whichever JPEG library you have on libjpeg.so and has an associated header file jpeglib.h. Whichever
your platform, you'll need to set the appropriate JPG_INC, JPG_PATH, JPEG library you have on your platform, you'll need to set the
and JPG_LIB variables, so that the compiler and linker can find it. 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>
<P>As before, if these header and library files are in the usual place on <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. 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 section</A> for more info on using variables
in input scripts. in input scripts.
</P> </P>
<P>IMPORTANT NOTE: Currently, the command-line parser looks for arguments <P>NOTE: Currently, the command-line parser looks for arguments that
that start with "-" to indicate new switches. Thus you cannot specify start with "-" to indicate new switches. Thus you cannot specify
multiple variable values if any of they start with a "-", e.g. a 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 negative numeric value. It is OK if the first value1 starts with a
"-", since it is automatically skipped. "-", since it is automatically skipped.

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@ -80,9 +80,9 @@ This section has the following sub-sections:
Building LAMMPS can be non-trivial. You may need to edit a makefile, Building LAMMPS can be non-trivial. You may need to edit a makefile,
there are compiler options to consider, additional libraries can be there are compiler options to consider, additional libraries can be
used (MPI, FFT, JPEG), LAMMPS packages may be included or excluded, used (MPI, FFT, JPEG, PNG), LAMMPS packages may be included or
some of these packages use auxiliary libraries which need to be excluded, some of these packages use auxiliary libraries which need to
pre-built, etc. be pre-built, etc.
Please read this section carefully. If you are not comfortable with Please read this section carefully. If you are not comfortable with
makefiles, or building codes on a Unix platform, or running an MPI job 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_GZIP
-DLAMMPS_JPEG -DLAMMPS_JPEG
-DLAMMPS_PNG
-DLAMMPS_MEMALIGN -DLAMMPS_MEMALIGN
-DLAMMPS_XDR -DLAMMPS_XDR
-DLAMMPS_SMALLBIG -DLAMMPS_SMALLBIG
@ -197,9 +198,13 @@ compile with -DLAMMPS_GZIP. It requires that your Unix support the
"popen" command. "popen" command.
If you use -DLAMMPS_JPEG, the "dump image"_dump.html command will be 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 able to write out JPEG image files. For JPEG files, you must also link
write out text-based PPM image files. For JPEG files, you must also LAMMPS with a JPEG library, as described below. If you use
link LAMMPS with a JPEG library, as described below. -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 Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
posix_memalign() call instead of malloc() when large chunks or memory 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] [Step 7]
The 3 JPG variables allow you to specify a JPEG library which LAMMPS The 3 JPG variables allow you to specify a JPEG and/or PNG library
uses when writing out JPEG files via the "dump image"_dump_image.html which LAMMPS uses when writing out JPEG or PNG files via the "dump
command. These can be left blank if you do not use the -DLAMMPS_JPEG image"_dump_image.html command. These can be left blank if you do not
switch discussed above in Step 4, since in that case JPEG output will use the -DLAMMPS_JPEG or -DLAMMPS_PNG switches discussed above in Step
be disabled. 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 A standard JPEG library usually goes by the name libjpeg.a or
associated header file jpeglib.h. Whichever JPEG library you have on libjpeg.so and has an associated header file jpeglib.h. Whichever
your platform, you'll need to set the appropriate JPG_INC, JPG_PATH, JPEG library you have on your platform, you'll need to set the
and JPG_LIB variables, so that the compiler and linker can find it. 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 As before, if these header and library files are in the usual place on
your machine, you may not need to set these variables. 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 section"_Section_commands.html#cmd_2 for more info on using variables
in input scripts. in input scripts.
IMPORTANT NOTE: Currently, the command-line parser looks for arguments NOTE: Currently, the command-line parser looks for arguments that
that start with "-" to indicate new switches. Thus you cannot specify start with "-" to indicate new switches. Thus you cannot specify
multiple variable values if any of they start with a "-", e.g. a 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 negative numeric value. It is OK if the first value1 starts with a
"-", since it is automatically skipped. "-", since it is automatically skipped.

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@ -82,13 +82,13 @@
<P><B>Description:</B> <P><B>Description:</B>
</P> </P>
<P>Dump a high-quality ray-traced image of the atom configuration every N <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 timesteps as either a JPG or PNG or PPM file. The options for this
as well as the <A HREF = "dump_modify.html">dump_modify</A> command control what is command as well as the <A HREF = "dump_modify.html">dump_modify</A> command control
included in the image and how it appears. A series of such images can what is included in the image and how it appears. A series of such
easily be converted into an animated movie of your simulation; see images can easily be converted into an animated movie of your
further details below. Other dump styles store snapshots of numerical simulation; see further details below. Other dump styles store
data asociated with atoms in various formats, as discussed on the snapshots of numerical data asociated with atoms in various formats,
<A HREF = "dump.html">dump</A> doc page. as discussed on the <A HREF = "dump.html">dump</A> doc page.
</P> </P>
<P>Here are two sample images, rendered as 1024x1024 JPG files. Click to <P>Here are two sample images, rendered as 1024x1024 JPG files. Click to
see the full-size images: 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 <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 <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>
<P>The filename suffix determines whether a JPG or PPM file is created. <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 If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a

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@ -69,13 +69,13 @@ dump myDump all image 100 dump.*.jpg type type :pre
[Description:] [Description:]
Dump a high-quality ray-traced image of the atom configuration every N 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 timesteps as either a JPG or PNG or PPM file. The options for this
as well as the "dump_modify"_dump_modify.html command control what is command as well as the "dump_modify"_dump_modify.html command control
included in the image and how it appears. A series of such images can what is included in the image and how it appears. A series of such
easily be converted into an animated movie of your simulation; see images can easily be converted into an animated movie of your
further details below. Other dump styles store snapshots of numerical simulation; see further details below. Other dump styles store
data asociated with atoms in various formats, as discussed on the snapshots of numerical data asociated with atoms in various formats,
"dump"_dump.html doc page. as discussed on the "dump"_dump.html doc page.
Here are two sample images, rendered as 1024x1024 JPG files. Click to Here are two sample images, rendered as 1024x1024 JPG files. Click to
see the full-size images: 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 Only atoms in the specified group are rendered in the image. The
"dump_modify region and thresh"_dump_modify.html commands can also "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. 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 If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a