DoD Planewave: Installation

Obtain the latest version of DoD Planewave.

• Contact D.J. Singh (Privacy Advisory) to obtain the latest version of DoD Planewave.

Unpack DoD Planewave distribution package.

• Expand compressed file:

  gunzip dodpw-v###.tar.gz

  This will create dodpw-v###.tar file.

• Untar the tar file:

  tar -xvf dodpw-v###.tar

  This will create the complete set of distribution package including source code and example runs.

Build Makefiles.

1. Type "make build".
2. The MAKE header files for all available systems will be listed.
3. When asked for "system", choose one of the header files. Some of the available systems included in the distribution are:

   asc.sp2

   IBM SP2 parallel machines on ASC MSRC.

   asc.sp2.real

   Real version of asc.sp2.

   arl.o2k

   SGI Origin 2000 parallel machines on ARL MSRC.

   arl.o2k.real

   Real version of arl.o2k.

   aix

   IBM AIX system in serial mode (no MPI).

   • For other system configuration, copy the Makefile header which is for the system closest to your system configuration to Makefile.my_system and modify it for your system.
   • When you have the header file (Makefile.my_system), you can choose "my_system" as your system for "make build".

4. Now all necessary Makefiles are ready.

Compile the DoD Planewave program.

1. Type "make dodpw".

   This will preprocess/compile the source files and link with various library routines to create the executable, dodpw.x.

2. Copy dodpw.x to the directory where you have your input data files.

Recompiling the DoD Planewave program.

• For v3.00 or higher, you DO NOT need to recompile even if you change many different input parameters, such as number of atoms or the list of k-points, etc.
• If, however, you change the symmetry of the lattice in such a way that the change of REAL version to HERMITIAN version -- or vice versa -- becomes necessary, you need to recompile the entire package.


1. Type "make clean".

   This will clean up the directory by removing all intermediate files including object files and module definition files.

2. Follow the steps for "Compiling the DoD Planewave program".

Use DoD Planewave.

To continue with the instructions on how to use DoD Planewave, refer the Usage section.