forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8651 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
ee321aabc6
commit
dd51b1a0c8
|
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@ -14,8 +14,8 @@
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|||
<P>This section describes how to build and use LAMMPS via a Python
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interface.
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</P>
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<UL><LI>11.1 <A HREF = "#py_1">Setting necessary environment variables</A>
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<LI>11.2 <A HREF = "#py_2">Building LAMMPS as a shared library</A>
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<UL><LI>11.1 <A HREF = "#py_1">Building LAMMPS as a shared library</A>
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<LI>11.2 <A HREF = "#py_2">Installing the Python wrapper into Python</A>
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<LI>11.3 <A HREF = "#py_3">Extending Python with MPI to run in parallel</A>
|
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<LI>11.4 <A HREF = "#py_4">Testing the Python-LAMMPS interface</A>
|
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<LI>11.5 <A HREF = "#py_5">Using LAMMPS from Python</A>
|
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|
|
@ -76,36 +76,7 @@ check which version of Python you have installed, by simply typing
|
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|
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<HR>
|
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|
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<A NAME = "py_1"></A><H4>11.1 Setting necessary environment variables
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</H4>
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<P>For Python to use the LAMMPS interface, it needs to find two files.
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The paths to these files need to be added to two environment variables
|
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that Python checks.
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</P>
|
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<P>The first is the environment variable PYTHONPATH. It needs
|
||||
to include the directory where the python/lammps.py file is.
|
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</P>
|
||||
<P>For the csh or tcsh shells, add something like this to your ~/.cshrc
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file:
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</P>
|
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<PRE>setenv PYTHONPATH $<I>PYTHONPATH</I>:/home/sjplimp/lammps/python
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</PRE>
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<P>The second is the environment variable LD_LIBRARY_PATH, which is used
|
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by the operating system to find dynamic shared libraries when it loads
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them. See the discussion in <A HREF = "Section_start.html#start_5">Section_start
|
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5</A> of the manual about building LAMMPS as a
|
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shared library, for instructions on how to set the LD_LIBRARY_PATH
|
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variable appropriately.
|
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</P>
|
||||
<P>If your LAMMPS build is not using any auxiliary libraries which are in
|
||||
non-default directories where the system cannot find them, you
|
||||
typically just need to add something like this to your ~/.cshrc file:
|
||||
</P>
|
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<PRE>setenv LD_LIBRARY_PATH $<I>LD_LIBRARY_PATH</I>:/home/sjplimp/lammps/src
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</PRE>
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<HR>
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|
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<A NAME = "py_2"></A><H4>11.2 Building LAMMPS as a shared library
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<A NAME = "py_1"></A><H4>11.1 Building LAMMPS as a shared library
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</H4>
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<P>Instructions on how to build LAMMPS as a shared library are given in
|
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<A HREF = "Section_start.html#start_5">Section_start 5</A>. A shared library is one
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|
|
@ -119,15 +90,62 @@ make -f Makefile.shlib foo
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</PRE>
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<P>where foo is the machine target name, such as linux or g++ or serial.
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This should create the file liblmp_foo.so in the src directory, as
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well as a soft link liblmp.so which is what the Python wrapper will
|
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well as a soft link liblmp.so, which is what the Python wrapper will
|
||||
load by default. Note that if you are building multiple machine
|
||||
versions of the shared library, the soft link is always set to the
|
||||
most recently built version.
|
||||
</P>
|
||||
<P>If this fails, see <A HREF = "Section_start.html#start_5">Section_start 5</A> for
|
||||
more details, especially if your LAMMPS build uses auxiliary
|
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libraries, e.g. ones required by certain packages and found in the
|
||||
lib/package directories.
|
||||
more details, especially if your LAMMPS build uses auxiliary libraries
|
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like MPI or FFTW which may not be built as shared libraries on your
|
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system.
|
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</P>
|
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<HR>
|
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|
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<A NAME = "py_2"></A><H4>11.2 Installing the Python wrapper into Python
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</H4>
|
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<P>For Python to invoke LAMMPS, there are 2 files it needs to have:
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</P>
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<UL><LI>python/lammps.py
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<LI>src/liblmp.so
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</UL>
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<P>Lammps.py is the Python wrapper on the LAMMPS library interface.
|
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Liblmp.so is the shared LAMMPS library that Python loads, as described
|
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above.
|
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</P>
|
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<P>You can insure Python can find these files in one of two ways:
|
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</P>
|
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<UL><LI>set two environment variables
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<LI>run the python/install.py script
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</UL>
|
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<P>If you set the paths to these files as environment variables, you only
|
||||
have to do it once. For the csh or tcsh shells, add something like
|
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this to your ~/.cshrc file, one line for each of the two files:
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</P>
|
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<PRE>setenv PYTHONPATH $<I>PYTHONPATH</I>:/home/sjplimp/lammps/python
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setenv LD_LIBRARY_PATH $<I>LD_LIBRARY_PATH</I>:/home/sjplimp/lammps/src
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</PRE>
|
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<P>If you run the python/install.py script, you need to rerun it every
|
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time you rebuild LAMMPS (as a shared library) or make changes to the
|
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python/lammps.py file.
|
||||
</P>
|
||||
<P>You can invoke install.py from the python directory as
|
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</P>
|
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<PRE>% python install.py
|
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</PRE>
|
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<P>Prefix this command with "sudo" if it does not allow you to copy files
|
||||
into the Python site-packages directory. If you do this, make sure
|
||||
that the Python run by root is the same as the Python you run.
|
||||
E.g. you may need to do something like
|
||||
</P>
|
||||
<PRE>% sudo /usr/local/bin/python install.py
|
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</PRE>
|
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<P>You can also invoke install.py from the src directory as
|
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</P>
|
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<PRE>% make install-python
|
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</PRE>
|
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<P>Again, you may need to prefix this with "sudo". In this mode you
|
||||
cannot control which Python root invokes.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
|
|
|
|||
|
|
@ -11,8 +11,8 @@
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|||
This section describes how to build and use LAMMPS via a Python
|
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interface.
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|
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11.1 "Setting necessary environment variables"_#py_1
|
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11.2 "Building LAMMPS as a shared library"_#py_2
|
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11.1 "Building LAMMPS as a shared library"_#py_1
|
||||
11.2 "Installing the Python wrapper into Python"_#py_2
|
||||
11.3 "Extending Python with MPI to run in parallel"_#py_3
|
||||
11.4 "Testing the Python-LAMMPS interface"_#py_4
|
||||
11.5 "Using LAMMPS from Python"_#py_5
|
||||
|
|
@ -72,36 +72,7 @@ check which version of Python you have installed, by simply typing
|
|||
:line
|
||||
:line
|
||||
|
||||
11.1 Setting necessary environment variables :link(py_1),h4
|
||||
|
||||
For Python to use the LAMMPS interface, it needs to find two files.
|
||||
The paths to these files need to be added to two environment variables
|
||||
that Python checks.
|
||||
|
||||
The first is the environment variable PYTHONPATH. It needs
|
||||
to include the directory where the python/lammps.py file is.
|
||||
|
||||
For the csh or tcsh shells, add something like this to your ~/.cshrc
|
||||
file:
|
||||
|
||||
setenv PYTHONPATH ${PYTHONPATH}:/home/sjplimp/lammps/python :pre
|
||||
|
||||
The second is the environment variable LD_LIBRARY_PATH, which is used
|
||||
by the operating system to find dynamic shared libraries when it loads
|
||||
them. See the discussion in "Section_start
|
||||
5"_Section_start.html#start_5 of the manual about building LAMMPS as a
|
||||
shared library, for instructions on how to set the LD_LIBRARY_PATH
|
||||
variable appropriately.
|
||||
|
||||
If your LAMMPS build is not using any auxiliary libraries which are in
|
||||
non-default directories where the system cannot find them, you
|
||||
typically just need to add something like this to your ~/.cshrc file:
|
||||
|
||||
setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:/home/sjplimp/lammps/src :pre
|
||||
|
||||
:line
|
||||
|
||||
11.2 Building LAMMPS as a shared library :link(py_2),h4
|
||||
11.1 Building LAMMPS as a shared library :link(py_1),h4
|
||||
|
||||
Instructions on how to build LAMMPS as a shared library are given in
|
||||
"Section_start 5"_Section_start.html#start_5. A shared library is one
|
||||
|
|
@ -115,15 +86,62 @@ make -f Makefile.shlib foo :pre
|
|||
|
||||
where foo is the machine target name, such as linux or g++ or serial.
|
||||
This should create the file liblmp_foo.so in the src directory, as
|
||||
well as a soft link liblmp.so which is what the Python wrapper will
|
||||
well as a soft link liblmp.so, which is what the Python wrapper will
|
||||
load by default. Note that if you are building multiple machine
|
||||
versions of the shared library, the soft link is always set to the
|
||||
most recently built version.
|
||||
|
||||
If this fails, see "Section_start 5"_Section_start.html#start_5 for
|
||||
more details, especially if your LAMMPS build uses auxiliary
|
||||
libraries, e.g. ones required by certain packages and found in the
|
||||
lib/package directories.
|
||||
more details, especially if your LAMMPS build uses auxiliary libraries
|
||||
like MPI or FFTW which may not be built as shared libraries on your
|
||||
system.
|
||||
|
||||
:line
|
||||
|
||||
11.2 Installing the Python wrapper into Python :link(py_2),h4
|
||||
|
||||
For Python to invoke LAMMPS, there are 2 files it needs to have:
|
||||
|
||||
python/lammps.py
|
||||
src/liblmp.so :ul
|
||||
|
||||
Lammps.py is the Python wrapper on the LAMMPS library interface.
|
||||
Liblmp.so is the shared LAMMPS library that Python loads, as described
|
||||
above.
|
||||
|
||||
You can insure Python can find these files in one of two ways:
|
||||
|
||||
set two environment variables
|
||||
run the python/install.py script :ul
|
||||
|
||||
If you set the paths to these files as environment variables, you only
|
||||
have to do it once. For the csh or tcsh shells, add something like
|
||||
this to your ~/.cshrc file, one line for each of the two files:
|
||||
|
||||
setenv PYTHONPATH ${PYTHONPATH}:/home/sjplimp/lammps/python
|
||||
setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:/home/sjplimp/lammps/src :pre
|
||||
|
||||
If you run the python/install.py script, you need to rerun it every
|
||||
time you rebuild LAMMPS (as a shared library) or make changes to the
|
||||
python/lammps.py file.
|
||||
|
||||
You can invoke install.py from the python directory as
|
||||
|
||||
% python install.py :pre
|
||||
|
||||
Prefix this command with "sudo" if it does not allow you to copy files
|
||||
into the Python site-packages directory. If you do this, make sure
|
||||
that the Python run by root is the same as the Python you run.
|
||||
E.g. you may need to do something like
|
||||
|
||||
% sudo /usr/local/bin/python install.py :pre
|
||||
|
||||
You can also invoke install.py from the src directory as
|
||||
|
||||
% make install-python :pre
|
||||
|
||||
Again, you may need to prefix this with "sudo". In this mode you
|
||||
cannot control which Python root invokes.
|
||||
|
||||
:line
|
||||
|
||||
|
|
|
|||
|
|
@ -281,13 +281,11 @@ dummy MPI library provided in src/STUBS, since you don't need a true
|
|||
MPI library installed on your system. See the
|
||||
src/MAKE/Makefile.serial file for how to specify the 3 MPI variables
|
||||
in this case. You will also need to build the STUBS library for your
|
||||
platform before making LAMMPS itself. To build it as a static
|
||||
library, from the src directory, type "make stubs", or from the STUBS
|
||||
dir, type "make" and it should create a libmpi_stubs.a suitable for
|
||||
linking to LAMMPS. To build it as a shared library, from the STUBS
|
||||
dir, type "make shlib" and it should create a libmpi_stubs.so suitable
|
||||
for dynamically loading when LAMMPS runs. If either of these builds
|
||||
fail, you will need to edit the STUBS/Makefile for your platform.
|
||||
platform before making LAMMPS itself. To build from the src
|
||||
directory, type "make stubs", or from the STUBS dir, type "make".
|
||||
This should create a libmpi_stubs.a file suitable for linking to
|
||||
LAMMPS. If the build fails, you will need to edit the STUBS/Makefile
|
||||
for your platform.
|
||||
</P>
|
||||
<P>The file STUBS/mpi.cpp provides a CPU timer function called
|
||||
MPI_Wtime() that calls gettimeofday() . If your system doesn't
|
||||
|
|
@ -816,33 +814,20 @@ first "make" command will create a current Makefile.shlib with all the
|
|||
file names in your src dir. The second "make" command will use it to
|
||||
build LAMMPS as a shared library, using the SHFLAGS and SHLIBFLAGS
|
||||
settings in src/MAKE/Makefile.foo. The build will create the file
|
||||
liblmp_foo.so which another application can link to dyamically, as
|
||||
well as a soft link liblmp.so, which the Python wrapper uses by
|
||||
default.
|
||||
liblmp_foo.so which another application can link to dyamically. It
|
||||
will also create a soft link liblmp.so, which the Python wrapper uses
|
||||
by default.
|
||||
</P>
|
||||
<H5><B>Additional requirements for building a shared library:</B>
|
||||
</H5>
|
||||
<P>Note that for a shared library to be usable by a calling program, all
|
||||
the auxiliary libraries it depends on must also exist as shared
|
||||
libraries, and the operating system must be able to find them. For
|
||||
LAMMPS, this includes all libraries needed by main LAMMPS (e.g. MPI or
|
||||
FFTW or JPEG), system libraries needed by main LAMMPS (e.g. extra libs
|
||||
needed by MPI), any packages you have installed that require libraries
|
||||
provided with LAMMPS (e.g. the USER-ATC package require
|
||||
lib/atc/libatc.so), and any system libraries (e.g. BLAS or
|
||||
Fortran-to-C libraries) listed in the lib/package/Makefile.lammps
|
||||
file.
|
||||
</P>
|
||||
<P>If one of these auxiliary libraries does not exist as a shared
|
||||
library, the second make command should generate a build error. If a
|
||||
needed library is simply missing from the link list, this will not
|
||||
generate an error at build time, but will generate a run-time error
|
||||
when the library is loaded, so be sure all needed libraries are
|
||||
listed, just as they are when building LAMMPS as a stand-alone code.
|
||||
</P>
|
||||
<P>Note that if you install them yourself, some libraries, such as MPI,
|
||||
may not build by default as shared libraries. The build instructions
|
||||
for the library should tell you how to do this.
|
||||
libraries. This will be the case for libraries included with LAMMPS,
|
||||
such as the dummy MPI library in src/STUBS or any package libraries in
|
||||
lib/packges, since they are always built as shared libraries with the
|
||||
-fPIC switch. However, if a library like MPI or FFTW does not exist
|
||||
as a shared library, the second make command will generate an error.
|
||||
This means you will need to install a shared library version of the
|
||||
package. The build instructions for the library should tell you how
|
||||
to do this.
|
||||
</P>
|
||||
<P>As an example, here is how to build and install the <A HREF = "http://www-unix.mcs.anl.gov/mpi">MPICH
|
||||
library</A>, a popular open-source version of MPI, distributed by
|
||||
|
|
@ -859,43 +844,19 @@ make install
|
|||
you do not have write privileges for /usr/local/lib. The end result
|
||||
should be the file /usr/local/lib/libmpich.so.
|
||||
</P>
|
||||
<P>Also note that not all of the auxiliary libraries provided with LAMMPS
|
||||
include Makefiles in their lib directories suitable for building them
|
||||
as shared libraries. Typically this simply requires 3 steps: (a)
|
||||
adding a -fPIC switch when files are compiled, (b) adding "-fPIC
|
||||
-shared" switches when the library is linked with a C++ (or Fortran)
|
||||
compiler, and (c) creating an output target that ends in ".so", like
|
||||
libatc.o. As we or others create and contribute these Makefiles, we
|
||||
will add them to the LAMMPS distribution.
|
||||
</P>
|
||||
<H5><B>Additional requirements for using a shared library:</B>
|
||||
<H5><B>Additional requirement for using a shared library:</B>
|
||||
</H5>
|
||||
<P>The operating system finds shared libraries to load at run-time using
|
||||
the environment variable LD_LIBRARY_PATH. So at a minimum you
|
||||
must set it to include the lammps src directory where the LAMMPS
|
||||
shared library file is created.
|
||||
the environment variable LD_LIBRARY_PATH. So you may wish
|
||||
to copy the file src/liblmp.so or src/liblmp_g++.so (for example)
|
||||
to a place the system can find it by default, such as /usr/local/lib,
|
||||
or you may wish to add the lammps src directory to LD_LIBRARY_PATH.
|
||||
</P>
|
||||
<P>For the csh or tcsh shells, you could add something like this to your
|
||||
~/.cshrc file:
|
||||
</P>
|
||||
<PRE>setenv LD_LIBRARY_PATH $<I>LD_LIBRARY_PATH</I>:/home/sjplimp/lammps/src
|
||||
</PRE>
|
||||
<P>If any auxiliary libraries, used by LAMMPS, are not in default places
|
||||
where the operating system can find them, then you also have to add
|
||||
their paths to the LD_LIBRARY_PATH environment variable.
|
||||
</P>
|
||||
<P>For example, if you are using the dummy MPI library provided in
|
||||
src/STUBS, and have built the file libmpi_stubs.so, you would add
|
||||
something like this to your ~/.cshrc file:
|
||||
</P>
|
||||
<PRE>setenv LD_LIBRARY_PATH $<I>LD_LIBRARY_PATH</I>:/home/sjplimp/lammps/src/STUBS
|
||||
</PRE>
|
||||
<P>If you are using the LAMMPS USER-ATC package, and have built the file
|
||||
lib/atc/libatc.so, you would add something like this to your ~/.cshrc
|
||||
file:
|
||||
</P>
|
||||
<PRE>setenv LD_LIBRARY_PATH $<I>LD_LIBRARY_PATH</I>:/home/sjplimp/lammps/lib/atc
|
||||
</PRE>
|
||||
<H5><B>Calling the LAMMPS library:</B>
|
||||
</H5>
|
||||
<P>Either flavor of library (static or shared0 allows one or more LAMMPS
|
||||
|
|
|
|||
|
|
@ -275,13 +275,11 @@ dummy MPI library provided in src/STUBS, since you don't need a true
|
|||
MPI library installed on your system. See the
|
||||
src/MAKE/Makefile.serial file for how to specify the 3 MPI variables
|
||||
in this case. You will also need to build the STUBS library for your
|
||||
platform before making LAMMPS itself. To build it as a static
|
||||
library, from the src directory, type "make stubs", or from the STUBS
|
||||
dir, type "make" and it should create a libmpi_stubs.a suitable for
|
||||
linking to LAMMPS. To build it as a shared library, from the STUBS
|
||||
dir, type "make shlib" and it should create a libmpi_stubs.so suitable
|
||||
for dynamically loading when LAMMPS runs. If either of these builds
|
||||
fail, you will need to edit the STUBS/Makefile for your platform.
|
||||
platform before making LAMMPS itself. To build from the src
|
||||
directory, type "make stubs", or from the STUBS dir, type "make".
|
||||
This should create a libmpi_stubs.a file suitable for linking to
|
||||
LAMMPS. If the build fails, you will need to edit the STUBS/Makefile
|
||||
for your platform.
|
||||
|
||||
The file STUBS/mpi.cpp provides a CPU timer function called
|
||||
MPI_Wtime() that calls gettimeofday() . If your system doesn't
|
||||
|
|
@ -810,33 +808,20 @@ first "make" command will create a current Makefile.shlib with all the
|
|||
file names in your src dir. The second "make" command will use it to
|
||||
build LAMMPS as a shared library, using the SHFLAGS and SHLIBFLAGS
|
||||
settings in src/MAKE/Makefile.foo. The build will create the file
|
||||
liblmp_foo.so which another application can link to dyamically, as
|
||||
well as a soft link liblmp.so, which the Python wrapper uses by
|
||||
default.
|
||||
|
||||
[Additional requirements for building a shared library:] :h5
|
||||
liblmp_foo.so which another application can link to dyamically. It
|
||||
will also create a soft link liblmp.so, which the Python wrapper uses
|
||||
by default.
|
||||
|
||||
Note that for a shared library to be usable by a calling program, all
|
||||
the auxiliary libraries it depends on must also exist as shared
|
||||
libraries, and the operating system must be able to find them. For
|
||||
LAMMPS, this includes all libraries needed by main LAMMPS (e.g. MPI or
|
||||
FFTW or JPEG), system libraries needed by main LAMMPS (e.g. extra libs
|
||||
needed by MPI), any packages you have installed that require libraries
|
||||
provided with LAMMPS (e.g. the USER-ATC package require
|
||||
lib/atc/libatc.so), and any system libraries (e.g. BLAS or
|
||||
Fortran-to-C libraries) listed in the lib/package/Makefile.lammps
|
||||
file.
|
||||
|
||||
If one of these auxiliary libraries does not exist as a shared
|
||||
library, the second make command should generate a build error. If a
|
||||
needed library is simply missing from the link list, this will not
|
||||
generate an error at build time, but will generate a run-time error
|
||||
when the library is loaded, so be sure all needed libraries are
|
||||
listed, just as they are when building LAMMPS as a stand-alone code.
|
||||
|
||||
Note that if you install them yourself, some libraries, such as MPI,
|
||||
may not build by default as shared libraries. The build instructions
|
||||
for the library should tell you how to do this.
|
||||
libraries. This will be the case for libraries included with LAMMPS,
|
||||
such as the dummy MPI library in src/STUBS or any package libraries in
|
||||
lib/packges, since they are always built as shared libraries with the
|
||||
-fPIC switch. However, if a library like MPI or FFTW does not exist
|
||||
as a shared library, the second make command will generate an error.
|
||||
This means you will need to install a shared library version of the
|
||||
package. The build instructions for the library should tell you how
|
||||
to do this.
|
||||
|
||||
As an example, here is how to build and install the "MPICH
|
||||
library"_mpich, a popular open-source version of MPI, distributed by
|
||||
|
|
@ -853,43 +838,19 @@ You may need to use "sudo make install" in place of the last line if
|
|||
you do not have write privileges for /usr/local/lib. The end result
|
||||
should be the file /usr/local/lib/libmpich.so.
|
||||
|
||||
Also note that not all of the auxiliary libraries provided with LAMMPS
|
||||
include Makefiles in their lib directories suitable for building them
|
||||
as shared libraries. Typically this simply requires 3 steps: (a)
|
||||
adding a -fPIC switch when files are compiled, (b) adding "-fPIC
|
||||
-shared" switches when the library is linked with a C++ (or Fortran)
|
||||
compiler, and (c) creating an output target that ends in ".so", like
|
||||
libatc.o. As we or others create and contribute these Makefiles, we
|
||||
will add them to the LAMMPS distribution.
|
||||
|
||||
[Additional requirements for using a shared library:] :h5
|
||||
[Additional requirement for using a shared library:] :h5
|
||||
|
||||
The operating system finds shared libraries to load at run-time using
|
||||
the environment variable LD_LIBRARY_PATH. So at a minimum you
|
||||
must set it to include the lammps src directory where the LAMMPS
|
||||
shared library file is created.
|
||||
the environment variable LD_LIBRARY_PATH. So you may wish
|
||||
to copy the file src/liblmp.so or src/liblmp_g++.so (for example)
|
||||
to a place the system can find it by default, such as /usr/local/lib,
|
||||
or you may wish to add the lammps src directory to LD_LIBRARY_PATH.
|
||||
|
||||
For the csh or tcsh shells, you could add something like this to your
|
||||
~/.cshrc file:
|
||||
|
||||
setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:/home/sjplimp/lammps/src :pre
|
||||
|
||||
If any auxiliary libraries, used by LAMMPS, are not in default places
|
||||
where the operating system can find them, then you also have to add
|
||||
their paths to the LD_LIBRARY_PATH environment variable.
|
||||
|
||||
For example, if you are using the dummy MPI library provided in
|
||||
src/STUBS, and have built the file libmpi_stubs.so, you would add
|
||||
something like this to your ~/.cshrc file:
|
||||
|
||||
setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:/home/sjplimp/lammps/src/STUBS :pre
|
||||
|
||||
If you are using the LAMMPS USER-ATC package, and have built the file
|
||||
lib/atc/libatc.so, you would add something like this to your ~/.cshrc
|
||||
file:
|
||||
|
||||
setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:/home/sjplimp/lammps/lib/atc :pre
|
||||
|
||||
[Calling the LAMMPS library:] :h5
|
||||
|
||||
Either flavor of library (static or shared0 allows one or more LAMMPS
|
||||
|
|
|
|||
Loading…
Reference in New Issue