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lib/atc/README
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ATC (Atom To Continuum methods)
Reese Jones, Jeremy Templeton, Jonathan Zimmerman
Reese Jones, Jeremy Templeton, Jonathan Zimmerman (Sandia National Labs)
rjones, jatempl, jzimmer at sandia.gov
September 2009
--------------
@ -9,17 +10,20 @@ This is version 1.0 of the ATC library, which provides continuum field
estimation and molecular dynamics-finite element coupling methods.
This library must be built with a C++ compiler, before LAMMPS is
built, so LAMMPS can link against it. This library is dependent on the
system libraries MPI, BLAS and LAPACK which will be linked when LAMMPS
is built.
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.g++
Note that the ATC library makes MPI calls, so you should
build it with the same MPI library that is used to build
LAMMPS, e.g. in the lammps/src/MAKE/Makefile.foo file.
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.
If the build is successful, you should end up with a libatc.a file.
When you build LAMMPS with this library, you must insure that the
settings in the lo-level Makefile (in lammps/src/MAKE) are correct for
user-atc-SYSLIB and user-atc_SYSLIBPATH, so the the appropriate BLAS
and LAPACK libraries on your system can be linked against.