Changes

yum install python-matplotlibƒmatplotlib

 == mpi4py ==For the model-free and relaxation dispersion analyses in relax, the optimisation can be speed up using Gary Thompson's multi-processor framework. This allows the calculations to be run on a computer cluster. This uses OpenMPI via the # [[mpi4py]] Python package. [http://www.nmr-relax.com/manual/Usage_multi_processor.html See the manual].<br>It requires the installation of '''openmpi''' and the '''mpi4py''' Python package.<br> Remember to check if there are newer versions of [https://bitbucket.org/mpi4py/mpi4py/downloads #Install | mpi4py]. <br>The [https://code.google.com/p/mpi4py/ mpi4py] libraries can be installed on all Linux systems by typing [http://mpi4py.scipy.org/docs/usrman/install.html or check instructions here.]:<source lang="bash"># Install openmpi-devel, to get 'mpicc'sudo yum install openmpi-devel# Check for mpiccwhich mpicc# If not found, try this fix, ref: http://forums.fedoraforum.org/showthread.php?t=194688#For 32 computer.sudo ln -s /usr/lib/openmpi/bin/mpicc /usr/bin/mpicc# For 64 bit computer.sudo ln -s /usr/lib64/openmpi/bin/mpicc /usr/bin/mpicc# Source your shell settings, to find the executable, # or restart your terminal.source $HOME/.cshrc # Then install mpi4pycd $HOME/Downloadswget https://bitbucket.org/mpi4py/mpi4py/downloads/mpi4py-1.3.1.tar.gztar -xzf mpi4py-1.3.1.tar.gzcd mpi4py-1.3.1#Then eithersudo pip install .# Orpython setup.py buildsudo python setup.py install</source>

<source {{collapsible script| type = Python commands| title = Testing modules by importing them.| lang ="python">| script =

If you would like to play with relax branch rather than the main [http://www.nmr-relax.com/download.html relax downloads], the [httphttps://subversiongit-scm.tigris.orgcom/ SubversionGit] program should first be installed. <br>You can see the different branches [http://svn.gna.org/viewcvs/{{relax/ source|text=here}}.] <br>

=== Using subversion git ===To check out the relax trunk using the subversion git client, simply type:<{{#tag:source lang="bash">|svn co svn://svn.gna.org/svn/{{relax/trunk relax_trunk</source>clone}}If this svn command does not work, try:<source | lang="bash">svn co http://svn.gna.org/svn/relax/trunk relax_trunk</source>}}

For the {{:R1 }} and {{:R2 }} and relaxation dispersion analyses, the relax C modules must be compiled. This is done using the scons program, by simply typing:

=== In multiprocessor mode ===<source lang="bash">set RELAX=`which relax`# Normalmpirun -np N+1 $RELAX --multi='mpi4py'# In guimpirun -np N+1 $RELAX --multi='mpi4py' -g</source>where N is the number of slaves you have. See the mpirun documentation for details - this is not part of relax. <br>This code runs in the GUI, the script UI and the prompt UI, i.e. everywhere. == Helper start scripts ==If you have several versions or development branches of relax installed, you could probably use some of these scripts, and put them in your PATH.=== Script for force running the disp branch of relax on server computer ===This script exemplifies a setup, where the above Test installation requirements is met on one server computer ''haddock'', and where satellite computersare forced to run on this computer.  The file '''relax_trunk''' is made executable (''chmod +x relax_trunk''), and put in a PATH, known by all satellite computers.<source lang="bash">#!/bin/tcsh -f # Set the lax version used for this script.set RELAX=/network_drive/software_user/software/NMR-relax/relax_trunk/relax # Check machine, since only machine haddock have correct packages installed.if ( $HOST != "haddock") then echo "You have to run on haddock. I do it for you" ssh haddock -Y -t "cd $PWD; $RELAX $argv; /bin/tcsh"else $RELAX $argvendif</source> === Script for running the disp branch of relax with maximum number of processors available ===This script exemplifies a setup, to test the running relax with maximum number of processors.  The file '''relax_test''' is made executable, and put in a PATH, known by all satellite computers.<source lang="bash">#!/bin/tcsh -fe # Set the relax version used for this script.set RELAX=/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/relax # Set number of available CPUs.set NPROC=`nproc`set NP=`echo $NPROC + 1 {{caution| bc ` echo "Running relax with NP=$NP in multi-processor mode" # Run relax in multi processor mode./usr/lib64/openmpi/bin/mpirun -np $NP $RELAX --multi='mpi4py' $argv</source> == TEST INSTALLATION ==After an installation you should really run an [[Installation_test]].}}