INSTRUCTIONS FOR COMPILING LAMMPS WITH VISUAL STUDIO 2005 The provided project LAMMPS.vcproj includes the minimal package set: KSPACE, MANYBODY, MOLECULE. The package set may be reconfiured with the help of the supplied VS macro (see below). The project has configurations to compile either with MPI support or with MPI stubs. To compile with MPI: 1. Install MPICH for Windows, specify the corresponding include and lib directories in MSVS/Tools/Options/Projects and Solutions/VC++ Directories 2. Compile LAMMPS using Debug or Release configurations from the provided projects To compile with MPI STUBS 1. Compile STUBS.vcproj 2. Compile LAMMPS using Debug_STUBS or Release_STUBS configurations from the provided project To run the code you may need mpich and fftw213 dlls accessible by the system search (they may be copied to Windows/system32 directory). The fftw213 dlls can be found in vs9/extra/fftw213 or downloaded from the fftw site To customise the packages via a Visual Basic macro: 1. Load LAMMPS solution in Visual Studio IDE 2. Select in the main menu "Tools/Macros/Load Macro Project..." and load the file src/WINDOWS/LAMMPS.vsmacros 3. In the "Macro Explorer" on the right panel open LAMMPS and LAMMPS_settings 4. Double click on "ManagePackages" to run the configuration macro. Please note that the window for running macro sometimes opens in the background, so use Alt-TAB to locate it. 5. Configure a custom set of packages and press Ok. Wait till the macro completes. 6. Rebuild the LAMMPS project Before the first build or after an update from LAMMPS src repository it is recommended to run "ManagePackages" macro an check "Refresh file list in src filter" to get an up to date list of source files in the "src" project filter. This may be needed as the file composition in src may change between LAMMPS releases. Some of the packages were not tested to be compatible with VS compiler or require additional libraries. They are marked with asterics in the package list displayed when the macro is running. If you wish to try those packages, install them using the macro and then change the project properties (libraries, includes, etc.) manually. Please note that "ManagePackages" macro works on the project named LAMMPS. So if you rename the LAMMPS project and still want to use automatic package configuration, please specify the new name in the line "Dim LAMMPS_project_name As String =" at the beginning of the macro code. The default package options such as the path to include and library files, description, etc can also be changed by editing the "ManagePackages" macro code. To do this right click on "ManagePackages" in the "Macro Explorer" and select Edit. Then go to the section named "===================== Custom Package options ========================", find the required package and change its properties by modyfing the corresponding PKG_OPTS(...) entry.