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== Download from ==
Download from:<br>
</source>
== Install Minfx and Bmrblib and mpi4py == # [[Minfx#Install | Minfx]]# [[Bmrblib#Install | Bmrblib]]# [[Mpi4py#Install | Mpi4py]] == Scripts to run relax ==See [[Installation_linux#mpi4py | linux mpi4py installtion]] if you want to run multi processor mode. Here we have one computer, with 24 cores, called '''haddock'''.We want to have the users logon on to haddock, when they want to do multi-core calculations. Make these scripts available somewhere in PATH.
<source lang="bash">
#!/bin/tcsh
# Set the lax version used for this script.
set RELAX=/sbinlab2/software/NMR-relax/relax_trunk/relax
# Run relax in multi processor mode.
set RELAXRUN="$RELAX $argv"
# Activate python
ap
$RELAX $argv</source> For multi core computations.<source lang="bash">#!/bin/tcsh # Set the lax version used for this script.set RELAX=/sbinlab2/software/NMR-relax/relax_trunk/relax # Set number of available CPUs.#set NPROC=`nproc`set NPROC=5set NP=`echo $NPROC + 1 | bc ` # Run relax in multi processor mode.set RELAXRUN="/usr/lib64/openmpi/bin/mpirun -np $NP $RELAX --multi='mpi4py' $argv" # DownloadCheck machine, since only machine haddock have openmpi-devel installedif ( $HOST != "haddock") then echo "You have to run on haddock. I do it for you" ssh haddock -Y -t "cd $PWD; ap; $RELAXRUN; /bin/tcsh"else # Activate python ap /usr/lib64/openmpi/bin/mpirun -np $NP $RELAX --multi='mpi4py' $argvendif</source> == Compile program issues with scons ==<source lang="bash"># Go into install directorytcshset IND=/sbinlab2/software/python-enthought-dis/canopy-1.4.0-full-rh5-64cd $IND # setenv PYTHON_LIBRARY XXXXX/libpython2.7.so# libpython2.7.sofind . -name libpython2.7.so -type f./appdata/canopy-1.4.0.1938.rh5-x86_64/lib/libpython2.7.so./appdata/canopy-1.4.0.1938.rh5-x86_64/lib/python2.7/config/libpython2.7.so./Canopy_64bit/User/lib/libpython2.7.so./Canopy_64bit/System/lib/libpython2.7.so # setenv PYTHON_EXECUTABLE XXXXX/python2.7# find . -name python\*# find . -name python -type f# find . -name python2.7 -type f./appdata/canopy-1.4.0.1938.rh5-x86_64/bin/python2.7./Canopy_64bit/User/bin/python./Canopy_64bit/User/bin/python2.7./Canopy_64bit/System/bin/python./Canopy_64bit/System/bin/python2.7 # setenv PYTHON_INCLUDE_DIR XXXX/# find . -name Python.h -type f./appdata/canopy-1.4.0.1938.rh5-x86_64/include/python2.7/Python.h</source> === Python.h ===<source lang="bash">[tlinnet@tomat disp_spin_speed]$ sconsscons: Reading SConscript files ...scons: done reading SConscript files.scons: Building targets ...gcc -o target_functions/relax_fit.os -c -I/sbinlab2/software/python-enthought-dis/canopy-1.4.0-full-rh5-64/Canopy_64bit/User/include/python2.7 -fPIC target_functions/relax_fit.ctarget_functions/relax_fit.c:21:20: error: Python.h: No such file or directorytarget_functions/relax_fit.c:30: error: expected '=', ',', ';', 'asm' or '__attribute__' before '*' tokentarget_functions/relax_fit.c:79: error: expected '=', ',', ';', 'asm' or '__attribute__' before '*' tokentarget_functions/relax_fit.c:117: error: expected '=', ',', ';', 'asm' or '__attribute__' before '*' tokentarget_functions/relax_fit.c:142: error: expected '=', ',', ';', 'asm' or '__attribute__' before '*' tokentarget_functions/relax_fit.c:153: error: expected '=', ',', ';', 'asm' or '__attribute__' before '*' tokentarget_functions/relax_fit.c:171: error: expected '=', ',', ';', 'asm' or '__attribute__' before 'relax_fit_methods'target_functions/relax_fit.c: In function 'initrelax_fit':target_functions/relax_fit.c:227: error: 'relax_fit_methods' undeclared (first use in this function)target_functions/relax_fit.c:227: error: (Each undeclared identifier is reported only oncetarget_functions/relax_fit.c:227: error: for each function it appears in.)scons: *** [target_functions/relax_fit.os] Error 1scons: building terminated because of errors.</source>Then try<source lang="bash">#setenv PYTHON_LIBRARY $IND/appdata/canopy-1.4.0.1938.rh5-x86_64/lib/libpython2.7.so#setenv PYTHON_EXECUTABLE $IND/appdata/canopy-1.4.0.1938.rh5-x86_64/bin/python2.7setenv PYTHON_INCLUDE_DIR $IND/appdata/canopy-1.4.0.1938.rh5-x86_64/include/python2.7</source> Setting system environment variable '''PYTHON_INCLUDE_DIR''' to point to the dir with '''Python.h''' solved the problem. === For MAC ======= Python.h ====<source lang="bash">echo "PYTHON_INCLUDE_DIR=/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/include/python2.7" >> $HOME/Downloads.bash_profile echo "export PYTHON_INCLUDE_DIR" >> $HOME/.bash_profile</source> ==== Wx program running on Canopy 1.4 on OS X "Please run with a Framework build of python" ====See https://support.enthought.com/entries/22601196-wxPython-2-8-and-2-9 to fix it. === For Linux ======= Python.h ====<source lang="bash">setenv PYTHON_INCLUDE_DIR /sbinlab2/software/python-enthought-dis/canopy-1.4.0-full-rh5-64/appdata/canopy-1.4.1.1975.rh5-x86_64/include/python2.7
# Or