jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9970 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-05-30 19:39:16 +00:00
parent cf370d0ae7
commit 2abcef3603
2 changed files with 40 additions and 42 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
lib/meam/Makefile.lammps
View File

@ -1,5 +0,0 @@
# Settings that the LAMMPS build will import when this package library is used
meam_SYSINC =
meam_SYSLIB = -lgfortran
meam_SYSPATH =

77
lib/meam/README
View File

@ -1,48 +1,51 @@
ATC (Atom To Continuum methods)
Reese Jones, Jeremy Templeton, Jonathan Zimmerman (Sandia National Labs)
rjones, jatempl, jzimmer at sandia.gov
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 MEAM package.
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 Makefile.* files or create
your own, specific to your compiler and system. For example:
make -f Makefile.g++
Note that the this library makes MPI calls, so you must build it with
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:
libmeam.a the library LAMMPS will link against
libatc.a the library LAMMPS will link against
Makefile.lammps settings the LAMMPS Makefile will import
The latter file will have settings like this (can be omitted if blank):
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.
meam_SYSINC =
meam_SYSLIB = -lgfortran
meam_SYSPATH =
IMPORTANT: You must examine the final Makefile.lammps to insure it is
correct for your system, else the LAMMPS build will likely fail.
SYSINC is for settings needed to compile LAMMPS source files
SYSLIB is for additional system libraries needed by this package
SYSPATH is the path(s) to where those libraries are
Makefile.lammps has settings for 3 variables:
You must insure these settings are correct for your system, else
the LAMMPS build will likely fail.
user-atc_SYSINC = leave blank for this package
user-atc_SYSLIB = auxiliary F90 libs needed to link a F90 lib with
a C++ program (LAMMPS) via a C++ compiler
user-atc_SYSPATH = path(s) to where those libraries are
Note that the source files for this library are Fortran. LAMMPS is
built with a C++ compiler/linker. Thus you need to insure the
settings above enable usage of a Fortran library by a C++ program.
-------------------------------------------------------------------------
MEAM (modified embedded atom method) library
Greg Wagner, Sandia National Labs
gjwagne at sandia.gov
Jan 2007
-------------------------------------------------------------------------
This library is in implementation of the MEAM potential, specifically
designed to work with LAMMPS.
This library must be built with a F90 compiler, before LAMMPS is
built, so LAMMPS can link against it.
Build the library using one of the provided Makefiles or creating your
own, specific to your compiler and system. For example:
make -f Makefile.g95
If the build is successful, you should end up with a libmeam.a file.
Because you have a F90 compiler on your system, you should have these
libraries. But you will have to figure out which ones are needed and
where they are. Examples of common configurations are in the
Makefile.lammps.* files.