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

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.

In the numpy-1.2.1 source directory, do the following:

• 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, make sure you are not in the numpy-1.2.1 source directory, then do:

qsub -n 1 -t 5 -A <projectname>\ 
  --env PYTHONPATH=$PYTHONPATH:$HOME/soft/numpy-1.2.1-essl/bgsys/drivers/ppcfloor/gnu-linux/lib/python2.5/site-packages/numpy\ 
  /bgsys/drivers/ppcfloor/gnu-linux/bin/python test.py