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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9962 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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33
lib/atc/README
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@ -7,7 +7,7 @@ September 2009
This is version 1.0 of the ATC library, which provides continuum field
estimation and molecular dynamics-finite element coupling methods.
---------------------------
-------------------------------------------------
This directory has source files to build a library that LAMMPS
links against when using the USER-ATC package.
@ -15,14 +15,15 @@ links against when using the USER-ATC package.
This library must be built with a C++ compiler, before LAMMPS is
built, so LAMMPS can link against it.
Build the library using one of the provided Makefiles or create your
own, specific to your compiler and system. For example:
Build the library using one of the provided Makefile.* files or create
your own, specific to your compiler and system. For example:
make -f Makefile.g++
Note that the ATC library makes MPI calls, so you must build it with
the same MPI library that is used to build LAMMPS, e.g. as specified
by settings in the lammps/src/MAKE/Makefile.foo file.
the same MPI library that is used to build LAMMPS, i.e. as specified
by settings in the lammps/src/MAKE/Makefile.machine file you are
using.
When you are done building this library, two files should
exist in this directory:
@ -34,8 +35,8 @@ Makefile.lammps is created by the make command, by copying one of the
Makefile.lammps.* files. See the EXTRAMAKE setting at the top of the
Makefile.* files.
It is IMPORTANT that you examine the final Makefile.lammps to insure
it is correct for your system, else the LAMMPS build will likely fail.
IMPORTANT: You must examine the final Makefile.lammps to insure it is
correct for your system, else the LAMMPS build will likely fail.
Makefile.lammps has settings for 3 variables:
@ -48,15 +49,11 @@ You have several choices for these settings:
If the 2 libraries are already installed on your system, the settings
in Makefile.lammps.installed should work.
If they are not, you can install them yourself, and make
the appropriate settings.
If they are not, you can install them yourself, and speficy the
appropriate settings accordingly.
If you want to use the version provided with LAMMPS in lib/linalg,
then the settings in Makefile.lammps.linalg should work. Note that in
this case you also need to build the linear-algebra in lib/linalg; see
the lib/linalg/README for more details.
You can leave these settings blank and specify them in your
src/MAKE/Makefile.machine file instead. In this case you should edit
the Makefile.* to use Makefile.lammps.empty when it creates
Makefile.lammps.
If you want to use the minimalist version of these libraries provided
with LAMMPS in lib/linalg, then the settings in Makefile.lammps.linalg
should work. Note that in this case you also need to build the
linear-algebra in lib/linalg; see the lib/linalg/README for more
details.