Next: Serial version
OpenMX uses two or three library packages.
The following two libraries are indispensable.
When you try the MPI execution, in addition to the above
two libraries, you need to install a MPI package such as
- LAPACK (and BLAS) (http://www.netlib.org/)
- FFTW (http://www.fftw.org/)
If these library packages are not installed on your machine,
before the installation of OpenMX, you are required to install them.
If these libraries packages are available on your machine,
you can proceed the following procedure for the installation.
Then, after downloading openmx3.6.tar.gz, decompress it as follows:
- MPICH (http://www-unix.mcs.anl.gov/mpi)
- LAM (http://www.lam-mpi.org/)
% tar zxvf openmx3.6.tar.gz
When it is completed, you can find three directories
(source, work, DFT_DATA11) under the directory, openmx3.6.
The directories, 'source', 'work', and 'DFT_DATA11',
contain source files, input files, and data files for opimized pseudo-atomic
basis functions and pseudopotentials of Ver. 2011, respectively.