Miscellaneous Topics and Porting Notes

Building and Installing NumPy 1.2.1 on the BG/P (Surveyor)

These instructions were derived from the wonderful information at ​https://wiki.fysik.dtu.dk/gpaw/install/platforms_and_architectures.html. The below instructions assume bash.

• Copy site.cfg.example to site.cfg then add:

  [DEFAULT]
  library_dirs = /soft/apps/ESSL-4.4/lib
  include_dirs = /soft/apps/ESSL-4.4/include
  libraries = mass, x1, xlopt, xlf90_r, xlfmath, xlsmp
  search_static_first = true
  

• Set environment variables:

  ldpath=/bgsys/drivers/ppcfloor/gnu-linux/lib
  ldflags="-Wl,--allow-multiple-definition -L/opt/ibmcmp/xlmass/bg/4.4/bglib"
  root=$HOME/soft/numpy-1.2.1-essl
  p=/bgsys/drivers/ppcfloor/gnu-linux/bin/python
  c='"/bgsys/drivers/ppcfloor/gnu-linux/bin/powerpc-bgp-linux-gcc -DNO_APPEND_FORTRAN -L/opt/ibmcmp/xlmass/bg/4.4/bglib"'
  

• Now build and install numpy:

  MATHLIB="mass" LDFLAGS="$ldflags" LD_LIBRARY_PATH="$ldpath" CC="$c" $p setup.py install --root="$root"
  

• Update your environment settings; in your $HOME/.softenvrc, add:

  PYTHONPATH+=$HOME/soft/numpy-1.2.1-essl/bgsys/drivers/ppcfloor/gnu-linux/lib/python2.5/site-packages
  

• Then run

  resoft
  

• To run a test script:

  qsub -n 1 -t 5 -A <projname> /bgsys/drivers/ppcfloor/gnu-linux/bin/python test.py