SUPERCOMPUTINGBYAPI:
CONNECTINGWEBAPPSTOHPC
Dr. David Perry
Compute Integration Specialist, University of Melbourne
Supercomputing by API: Connecting Modern Web Apps to HPC
Worker
Nodes
Database
Web
Server
Virtual Laboratory
Worker
Nodes
Database
Web
Server
Login
Node
Compute
Nodes
Virtual Laboratory Supercomputer
YAYSUPERCOMPUTERS!
THEPROBLEM
Each HPC cluster has its own:
Scheduler
Software/OS
Hardware
THEDREAM
Write once, run anywhere.
No platform dependencies.
Consistent RESTful API for ... everything.
SOLUTIONS!
(sort of)
TODAY:
1. HPC APIs
2. Containers
THEIDEALHPCAPI:
Consistent interface across schedulers
Manages les
Work across system boundaries
Doesn't require changes to HPC cluster (no new
software, network ports, or security risks)
Multiple language bindings/wrappers
DRMAA
import drmaa
# Create session
s = drmaa.Session()
s.initialize()
# Create job
jt = s.createJobTemplate()
jt.remoteCommand = "echo 'hello'"
jt.nativeSpecification = "--mincpus=2"
jt.hardWallclockTimeLimit = '1:00:00'
# Run it
jobid = s.runJob(jt)
print('Your job has been submitted with ID %s' % jobid)
# Wait for it to complete
retval = s.wait(jobid, drmaa.Session.TIMEOUT_WAIT_FOREVER)
print('Job: {0} finished with status {1}'.format(retval.jobId, retval.hasEx
s.exit()
Scheduler
A Scheduler
B
Scheduler
C
Features
supported by
DRMAA
Supercomputing by API: Connecting Modern Web Apps to HPC
Good: Supported by almost all schedulers.
Bad: Unfriendly, local access only, limited scheduler
feature support, no longer under active
development.
SAGA
import saga
import os
# Run job using SAGA
ctx = saga.Context("ssh")
ctx.user_id = 'perryd'
os.environ['SAGA_PTY_SSH_TIMEOUT'] = '60'
session = saga.Session()
session.add_context(ctx)
js = saga.job.Service("slurm+ssh://spartan.hpc.unimelb.edu.au/", session=se
jd = saga.job.Description()
jd.executable = "echo 'hello' > hello.out"
jd.wall_time_limit = 5 # minutes
# Create and submit job, wait for it to finish.
myjob = js.create_job(jd)
myjob.run()
print 'Job Running'
myjob.wait()
print('Job %s finished with status %s' % (myjob.id, myjob.exit_code))
# Fetch output files
output = 'file://localhost/tmp/'
source = 'sftp://spartan.hpc.unimelb.edu.au/home/perryd/hello.out'
saga.filesystem.File(source, session=session).copy(output)
print('Remote file contents:')
print(open('/tmp/hello.out').read())
Good: Supports popular schedulers, works over
SSH, nothing to install on cluster, handles le
transfers.
Bad: Still not a web API.
AGAVE
Supercomputing by API: Connecting Modern Web Apps to HPC
Via RESTful API:
Execution & Storage Systems
Monitoring
Metadata
Permissions
History
Events
Demo
Agave ToGo
https://togo.agaveapi.co
Good: Hosted. RESTful, OpenAPI-compliant. Does
everything.
Bad: Hosted. RESTful, OpenAPI-compliant. Does
everything.
On to containers...
Why?
What versions of Bowtie are available?
At Melbourne:
At Monash:
At NCI:
Bowtie2/2.2.5-GCC-4.9.2
Bowtie2/2.2.5-intel-2016.u3
Bowtie2/2.2.9-GCC-4.9.2
Bowtie2/2.2.9-intel-2016.u3
bowtie/1.1.2
bowtie2/2.2.8
bowtie/1.2.0
bowtie2/2.1.0
bowtie2/2.2.5
bowtie2/2.2.9
bowtie2/2.3.1
Supercomputing by API: Connecting Modern Web Apps to HPC
Supercomputing by API: Connecting Modern Web Apps to HPC
Supercomputing by API: Connecting Modern Web Apps to HPC
Supercomputing by API: Connecting Modern Web Apps to HPC
SINGULARITY
Image-based (just a big le with everything in it)
Flat network/hardware access
Volume mounts similar to Docker
DEMO
1. Get or create a container.
$ sudo singularity create -s 6000 my_container.img
$ sudo singularity bootstrap my_container.img ubuntu.def
$ sudo singularity shell -w my_container.img
my_container.img> # Do stuff in a container
$ sudo singularity create -s 6000 digits_docker.img
$ sudo singularity --verbose import digits_docker.img 
docker://nvidia/digits:latest
2. Run your container.
$ singularity exec -B /tmp:/jobs digits_docker.img 
bash -c "export DIGITS_JOBS_DIR=/jobs && python -m digits"
As a HPC job:
#!/bin/bash
#SBATCH --nodes 1
#SBATCH --cpus-per-task=12
#SBATCH --partition gpu
#SBATCH --gres=gpu:4
#SBATCH --time 02:00:00
LOGIN_PORT=$(shuf -i 2000-65000 -n 1)
DIGITS_PORT=5000
module load Singularity
ssh -N -f -R $LOGIN_PORT:localhost:$DIGITS_PORT $SLURM_SUBMIT_HOST
echo "Forwarding to port:"
echo $LOGIN_PORT
singularity exec -B /tmp:/jobs -B /tmp:/scratch digits_docker.img bash -c
CAVEATS
Hardware/architecture dependencies still there.
Beware the golden image.
CONCLUSION
Supercomputer-enable your web app!
But can't ignore details of each supercomputer.
Tools out there to make life a bit easier.
MOREEXPLORATION
Project looking at:
APIs (inc. local Agave deployment)
Virtual Laboratory to HPC Single Sign-on
Knowledge Sharing
ACKNOWLEDGEMENTS
Nectar
VL managers & developers
Authors of SAGA, DRMAA and Agave
Lev Lafayette & Daniel Tosello

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Supercomputing by API: Connecting Modern Web Apps to HPC