HPC novice

Higher levels of parallelism

Overview

Teaching: 30 min
Exercises: 15 min
Questions
  • What were the key changes when using the multiprocessing library?

  • How could this be implemented with dask?

  • How does a conversion using dask high level API compare?

Objectives
  • Use a high level description of your algroithm.

  • Measure the runtime of the dask implementation.

Lola observes the code she has just written. She asks her room mate if she could review it. So both of them sit down in front of the screen and go through the code again.

#!/usr/bin/env python3
import sys

import numpy as np

from multiprocessing import cpu_count, Pool

np.random.seed(2017)

def inside_circle(total_count):

    x = np.float32(np.random.uniform(size=total_count))
    y = np.float32(np.random.uniform(size=total_count))

    radii = np.sqrt(x*x + y*y)

    count = len(radii[np.where(radii<=1.0)])

    return count

def estimate_pi(n_samples,n_cores):

    partitions = [ ]
    for i in range(n_cores):
        partitions.append(int(n_samples/n_cores))

    pool = Pool(processes=n_cores)
    counts=pool.map(inside_circle, partitions)

    total_count = sum(partitions)
    return (4.0 * sum(counts) / total_count)

if __name__=='__main__':

    ncores = cpu_count()
    n_samples = 10000
    if len(sys.argv) > 1:
        n_samples = int(sys.argv[1])

    partitions = [ int(n_samples/ncores) for item in range(ncores)]

    sizeof = np.dtype(np.float32).itemsize

    my_pi = estimate_pi(n_samples,ncores)

    print("[parallel version] required memory %.3f MB" % (n_samples*sizeof*3/(1024*1024)))
    print("[using %3i cores ] pi is %f from %i samples" % (ncores,my_pi,n_samples))

Lola’s office mate observes, that:

Lola agrees to these observations and both argue that an alternative implementation using higher level abstractions of the underlying hardware might be a good idea.

Another day, Lola discovers a library named dask (see more details here) that not only promises high performance, but also appears to be on par with the numpy library, so that she has to apply only minimal changes to the code. This library can be installed on Lola’s cluster by

$ pip3 install --user dask

She now sets out to study the documentation of dask and comes up with the following code:

#!/usr/bin/env python3
import sys
import math
import dask.array as da
import numpy as np

np.random.seed(2017)
da.random.seed(2017)

def inside_circle(total_count, chunk_size = -1):
    x = da.random.uniform(size=(total_count),
                          chunks=(chunk_size))

    y = da.random.uniform(size=(total_count),
                          chunks=(chunk_size))

    radii = da.sqrt(x*x + y*y)
    filtered = da.where(radii <= 1.0)

    indices = np.array(filtered[0])
    count = len(radii[indices])

    return count

def estimate_pi(total_count, chunk_size=-1):

    count = inside_circle(total_count, chunk_size)
    return (4.0 * count / total_count)

def main():
    n_samples = 10000
    if len(sys.argv) > 1:
        n_samples = int(sys.argv[1])

    chunksize = .1*n_samples
    if len(sys.argv) > 2:
        chunksize = int(sys.argv[2])
        
    my_pi = estimate_pi(n_samples, chunksize)
    sizeof = np.dtype(np.float32).itemsize
    print("[parallel version] required memory %.3f MB" % (n_samples*sizeof*3/(1024*1024)))
    print("[using dask lib  ] pi is %f from %i samples" % (my_pi,n_samples))

if __name__=='__main__':
    main()

This implementation can now be put to work. At this point, a paradigm shift has been introduced silently. Lola’s office mate makes her aware of this. It is a subtle change compared to using the multiprocessing library, but it is there.

In this example, the containers for the random numbers have become smart. This is only visible by good measure of the chunks=-1 argument to the da.random.uniform function. A flat container used to just hold numbers in memory wouldn’t have to be responsible for the chunking of the data. But dask offers us a container that does so.

Behind the courtains, the dask framework connects containers (da.array here) with functions (operator*, operator+, da.sqrt, da.where). The framework then infers which functions can act on which data independently. From this, the dask library can complete the program to any degree of parallelism that is needed.

All this automation comes at a price. The dask implementation is about 2x slower than the pure multiprocessing one. But there must be something, Lola has gained. The answer will become evident, when we dive into more details of the dask eco system as dask is HPC-ready.

$ pip3 install --user distributed bokeh

When consulting the dask.distributed documentation, Lola recognizes that she needs to adopt her code to work with dask.distributed.

#!/usr/bin/env python3
import sys
import math
import dask.array as da
from dask.distributed import Client
import numpy as np

np.random.seed(2017)
da.random.seed(2017)

def inside_circle(total_count, chunk_size = -1):
    x = da.random.uniform(size=(total_count),
                          chunks=(chunk_size))

    y = da.random.uniform(size=(total_count),
                          chunks=(chunk_size))

    radii = da.sqrt(x*x + y*y)
    filtered = da.where(radii <= 1.0)

    indices = np.array(filtered[0])
    count = len(radii[indices])

    return count

def estimate_pi(total_count, chunk_size=-1):

    count = inside_circle(total_count, chunk_size)
    return (4.0 * count / total_count)

def main():
    n_samples = 10000
    if len(sys.argv) > 1:
        n_samples = int(sys.argv[1])

    chunksize = .1*n_samples
    if len(sys.argv) > 2:
        chunksize = int(sys.argv[2])

    client = Client("tcp://192.168.178.25:8786")
    my_pi = estimate_pi(n_samples, chunksize)
    sizeof = np.dtype(np.float32).itemsize
    print("[parallel version] required memory %.3f MB" % (n_samples*sizeof*3/(1024*1024)))
    print("[distributed dask] pi is %f from %i samples" % (my_pi,n_samples))

if __name__=='__main__':
    main()

Following the adivce from the dask documentation, she has to do some manual work first, before she can launch the dask processes.

First, she needs to start the dask-scheduler.

$ dask-scheduler > scheduler.log 2>&1 &
distributed.scheduler - INFO - -----------------------------------------------
distributed.scheduler - INFO - Clear task state
distributed.scheduler - INFO -   Scheduler at: tcp://192.168.178.25:8786
distributed.scheduler - INFO -       bokeh at:                     :8787
distributed.scheduler - INFO - Local Directory: /tmp/user/1000/scheduler-k05cez5y
distributed.scheduler - INFO - -----------------------------------------------

Then, she starts one workers for testing:

$ dask-worker 192.168.178.25:8786 > worker.log 2>&1 &

Lola notices how she has to connect the 2 processes by an IP address 192.168.178.25:8786. After doing all of this, she runs her script again:

$ python3 distributed.dask_numpi.py

Something has changed. She receives the result much quicker now. Is that reproducible? Lola measures and observes that the runtime of dask.distributed is very close to the runtime of the multiprocessing implementation.

By chance, she talks to her office mate about this. They discover that there is more waiting for them. She opens the URL at 192.168.178.25:8787 in her browser. Lola is sees an interesting dashboard:

In an cluster environment, this is now a powerful feature. Scaling the application has just become manageable. So let’s get real and scale across multiple nodes on the cluster. For this, we start the central dask-scheduler on the login node. This is a process that only handles network traffic and hence should not (to be monitored) consume too many resources.

$ dask-scheduler > scheduler.log 2>&1 &

Note, we are sending this process into the background immediately and route its output including all errors into scheduler.log. The output of this command should look like this (if not, there is a problem):

distributed.scheduler - INFO - Clear task state
distributed.scheduler - INFO -   Scheduler at:  tcp://1.1.1.42:8786
distributed.scheduler - INFO -       bokeh at:        1.1.1.42:8787
distributed.scheduler - INFO - Local Directory:    /tmp/scheduler-xp31e5sl
distributed.scheduler - INFO - -----------------------------------------------

Subsequently, we have to start a worker on a cluster node and connect it to the scheduler by means of the IP address:

$ cat worker.sh
#!/bin/bash
#SBATCH --exclusive
#SBATCH -t 01:00:00
#SBATCH --exclusive

dask-worker tcp://1.1.1.42:8786
$ sbatch -o worker1.log  worker.sh

Now, we have to update the address of the scheduler inside our dask python script:

client = Client("tcp://1.1.1.42:8786")

As Lola observes, all parts of this dask system are connected by a single point, i.e. the IP address of the dask-scheduler. Lola can now run her dask scripts from the node where the dask-scheduler was started.

$ python3 distributed.dask_numpi.py

She will notice that the dashboard at 1.1.1.42:8787 is now filled with moving boxes. Her application runs. But, how about adding another node?

$ sbatch -o worker2.log  worker.sh

She is curious if the 2 workers can be used by her code.

$ python3 distributed.dask_numpi.py

Lola smiles while looking at the dashboard. This was after all very easy to setup. She has now reached a precision boundary that no other emplyee has reach for estimating pi.

Key Points