User:Marcelloo

To use numpy library and other common Python libraries install anaconda into your home directory:

wget http://repo.continuum.io/miniconda/Miniconda-latest-Linux-x86_64.sh -O miniconda.sh
chmod +x miniconda.sh
./miniconda.sh -b
export PATH=~/miniconda/bin:$PATH
conda update --yes conda
conda create --yes -n dev pip scipy numpy matplotlib hdf5 h5py ipython mpi4py jupyter

Then add this line into your ~/.bashrc file:

PATH=$HOME/miniconda/bin:$PATH

The following line activates the virtual environment named "dev", which effectively moves you to a new folder with its own binary files, compilers, etc. The line needs to be called before running a script using the virtual environment. The line can be put either into you .bashrc file or into the (.sge) submission script.

source activate dev

Now, virtual environment contains its own compilers. If you need to run a Python script in parallel, all needs to be compiled using these compilers, unless you manage to redirect to intel compilers or mkl libraries on orlando. An example of a software which needs to be compiled in this way is the molecular dynamics simulation software LAMMPS, which can be called from Python and run in parallel.