Instructions for obtaining GPAW and its test set for PRACE benchmarking

GPAW is licensed under GPL, so there are no license issues

Software requirements
=====================
* MPI
* BLAS, LAPACK, Scalapack
* HDF5
* Python (2.x series from 2.4 upwards)
  * For very large calculations ( > 4000 CPU cores) it is recommended to
    to use the special Python interpreter which reduces the 
    initialization time related to Python's import mechanism:
    https://gitorious.org/scalable-python
* NumPy ( > 1.3)

Obtaining the source code
=========================

* This benchmark uses the 3.6.1.3356 version of Atomic Simulation Environment 
  (ASE), which can be obtained as follows:

  svn co -r 3356 https://svn.fysik.dtu.dk/projects/ase/trunk ase

* This benchmark uses the 0.9.10710 version of GPAW, which can be 
  obtained as follows:

  svn co -r 10710 https://svn.fysik.dtu.dk/projects/gpaw/trunk gpaw

* Installation instructions for various architectures are given in
  https://wiki.fysik.dtu.dk/gpaw/install/platforms_and_architectures.html

Support
=======
* Help regarding the benchmark can be requested from jussi.enkovaara@csc.fi