Updating Cray support for 2.7.0

docs/Cray_support.rst

@@ -0,0 +1,141 @@
+.. _cray_support:
+
+EasyBuild on Cray
+=================
+
+As of EasyBuild v2.7.0, Cray support (XC series) is considered stable and it enables building/installing software using the PrgEnv modules provided by Cray. This page provides an overview of the current status.
+
+ For more information about this, contact Kenneth Hoste (HPC-UGent, Belgium; kenneth.hoste@ugent.be) and Petar Forai (IMBA/IMP, Austria; petar.forai@imp.ac.at).
+
+Thanks to Olli-Pekka Letho (CSC.fi), Tim Robinson and Guilherme Peretti-Pezzi (CSCS.ch), and Eric Bavier (Cray) for providing us access to Cray systems and for their support.
+
+Test systems
+------------
+
+* Piz Daint & Piz Dora @ CSCS.ch (http://www.cscs.ch/computers/piz_daint_piz_dora/index.html)
+* Santis & Brisi (TDS) @ CSCS.ch
+* Sisu @ CSC.fi (https://research.csc.fi/sisu-supercomputer)
+* Swan (TDS) @ Cray
+* Blue Waters @ NCSA
+
+EasyBuild toolchains
+--------------------
+
+* CrayGNU: PrgEnv-gnu with pinned versions of gcc, cray-libsci and cray-mpich
+* CrayIntel: PrgEnv-intel with pinned versions of intel, cray-libsci and cray-mpich
+* CrayCCE: PrgEnv-cray with pinned versions of cce, cray-libsci and cray-mpich
+
+versions:
+
+* Cray*/2015.06: PrgEnv-(*)/5.2.40 (Requires Cray PE June/2015)
+* Cray*/2015.11: PrgEnv-(*)/5.2.82 (Requires Cray PE November/2015)
+
+What works already?
+-------------------
+(see below for more information)
+
+*  **HPL** (LINPACK) benchmark version 2.1
+
+Major scientific software applications
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+* **CP2K** 2.6.0
+* **GROMACS** 4.6.7
+* **Python** 2.7.9 + numpy 1.9.2 + scipy 0.15.1
+* **WRF** 3.6.1 (pending on Sisu)
+
+Required EasyBuild configuration
+--------------------------------
+
+
+Modules tool 
+~~~~~~~~~~~~
+* Sisu: self-installed Lmod 5.8
+* Piz Daint, Dora, Swan, Santis, Brisi: system-provided environment modules 3.2.10 
+
+Example for C-modules::
+
+ source /opt/modules/3.2.10.3/init/bash
+ export PATH=/opt/modules/3.2.10.3/bin/:$PATH
+
+Architecture 
+~~~~~~~~~~~~
+
+* the craype-<target> module to load must be specified using --optarch
+
+  * e.g., --optarch=sandybridge results in craype-sandybridge being loaded in the build environment used by EasyBuild 
+
+You can also export this option as a shell variable: Example for sandybridge::
+
+ $ export EASYBUILD_OPTARCH=sandybridge
+
+Metadata for Cray-provided modules
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+* Easybuild provides a sample metadata file in order to use modules provided by Cray:
+
+::
+
+ easybuild-framework/etc/cray_external_modules_metadata.cfg
+
+
+* This file is loaded by default and contains enough information to build the easyconfig files shipped with EasyBuild
+* If you need to use a customized file, it can be specified using --external-modules-metadata. For more details see :ref:`using_external_modules_metadata`
+
+Major supported/tested applications
+-----------------------------------
+
+(in alphabetical order)
+
+CP2K
+~~~~
+
+* http://www.cp2k.org
+* version(s): 2.6.0
+
+::
+
+ $ eb CP2K-2.6.0-CrayGNU-2015.06.eb -dr 
+
+GROMACS
+~~~~~~~
+
+* http://www.gromacs.org
+* version(s): 4.6.7
+
+::
+
+ eb GROMACS-4.6.7-CrayGNU-2015.06-mpi.eb -dr 
+
+HPL
+~~~
+
+* http://www.netlib.org/benchmark/hpl
+* version(s): 2.1
+
+::
+
+ eb HPL-2.1-CrayCCE-2015.06.eb -dr
+ eb HPL-2.1-CrayGNU-2015.06.eb -dr 
+ eb HPL-2.1-CrayIntel-2015.06.eb -dr 
+
+Python + numpy/scipy
+~~~~~~~~~~~~~~~~~~~~
+
+* http://python.org, http://www.numpy.org, http://www.scipy.org
+* version(s): Python 2.7.9, numpy 1.9.2, scipy 0.15.1
+
+::
+
+ eb Python-2.7.9-CrayGNU-2015.06.eb -dr 
+ # includes a few python packages (such as mpi4py, numpy and scipy)
+
+WRF
+~~~
+
+* http://www.wrf-model.org
+* version(s): 3.6.1
+
+::
+
+ eb WRF-3.6.1-CrayGNU-2015.06-dmpar.eb --dr