Programming/Python

Programming Details

Python is a widely used high-level programming language used for general-purpose programming.

An interpreted language, Python has a design philosophy which emphasizes code readability (notably using whitespace indentation to delimit code blocks rather than curly braces or keywords), and a syntax which allows programmers to express concepts in fewer lines of code than possible in languages such as C++ or JAVA

When programming with Python in a HPC environment you will need to change the first line as shown below

 #!/usr/bin/python

To

 #!/usr/bin/env python

Python example

#!/usr/bin/env python

from mpi4py import MPI

comm = MPI.COMM_WORLD
rank = comm.Get_rank()

if rank == 0:
   data = {'key1' : [7, 2.72, 2+3j],
           'key2' : ( 'abc', 'xyz')}
else:
   data = None

data = comm.bcast(data, root=0)

if rank != 0:
        print ("data is %s and %d" % (data,rank))
else:
        print ("I am master\n")

Due to the limited of the Python interpreter (GIL) there is no point to use threads for CPU intensive tasks in Python. You need either multiprocessing or use C extensions that release GIL during computations e.g., some of numpy functions, example.

Modules Available

The following modules are available:

Python provided by the Python Software foundation

• module add python/2.7.11
• module add python/3.5.1

Anaconda python Anaconda is the open data science platform powered by Continuum

• module add python/anaconda/4.0/2.7
• module add python/anaconda/4.0/3.5
• module add python/anaconda/4.1.1/2.7

Compilation

Python is byte compiled at runtime by typing for example

[username@login01 ~]$  python myPython.py

Usage Examples

Batch example

 
#!/bin/bash
#SBATCH -J compute-single-node
#SBATCH -N 1
#SBATCH --ntasks-per-node 20
#SBATCH -o %N.%j.%a.out
#SBATCH -e %N.%j.%a.err
#SBATCH -p compute
#SBATCH --exclusive

echo $SLURM_JOB_NODELIST

module purge
module add anaconda/4.0
module add openmpi/gcc/1.10.2

export I_MPI_DEBUG=5
export I_MPI_FABRICS=shm:tmi
export I_MPI_FALLBACK=no

mpirun python broadcast.py

[username@login01 ~]$ sbatch python-demo.job
Submitted batch job 289572

Further Information

• https://en.wikipedia.org/wiki/Python_(programming_language)
• https://www.python.org/
• https://www.continuum.io/anaconda-overview
• OpenMPI

Programming support