This package consists of two part,
- LAMMPS related source file in lammps_src folder
- main cpfe and driver code in main_code folder, together with a folder contains input file for an example run
The installation of CACP can be done by following steps
- download and install LAMMPS version Feb-1-2014
- copy the source files from lammps_src into your lammps src/ folder, replace if needed
- make using Makefile.cacp on marcc or your Makefile dependes on the server enviroment. ( Upto here you get a lammps that can run regular MD simulation but also provides necessary interface for coupled code.)
- compile lammps as static library using " make Makefile.lib " and "make -f Makefile.lib foo" , foo is ur executable name, succesfuly build gives liblammps_foo.a file.
- modify the Makefile in the main_code folder, change the path accordingly for your lammps source file path.
- Before the final make, you need to make sure your compiler is intel openmpi, which can be examined by using "which mpicc", change .bashrc files accordingly.
- Using command "Make" in the main_code folder, successful build gives executable file "fem_uel".
The usage of CACP code: Copy the executable to your input folder, use "qsub run_CACP.batch" to submit to server.
For details on how the CACP code works, and how to adjust the parameters for your simulation, refer to Introduction_to_CACP.pdf