National scale research computing and beyond pearc panel 2017

Gregory Newby
Gregory NewbyChief Technology Officer at Compute Canada / Calcul Canada
National Scale Research Computing and
Beyond - PEARC
New Orleans - Thursday July 13 2017
Abstract
2
How might the international community of research computing users and
stakeholders benefit from knowledge sharing among national- or international-
scale research computing organizations and providers? It is common for large-
scale investments in research computing systems, services and support to be
guided and funded with government oversight and centralized planning. There
are many commonalities, including stakeholder relations, outcomes reporting,
long-range strategic planning, and governance. What trends exist currently,
and how might information sharing and collaboration among resource
providers be beneficial? Is there desire to form a partnership, or to build upon
existing relationships? Participants in this panel will include personnel involved
in US, Canadian and European research computing jurisdictions.
Panelists
3
Gregory Newby
Chief Technology Officer, Compute Canada
Florian Berberich
Member of the Board of Directors PRACE aisbl
Gergely Sipos
Customer and Technical Outreach Manager, EGI
Foundation
John Towns
Director of Collaborative eScience Programs, National
Center for Supercomputing Applications
Panel structure
4
Opening remarks from each panelist (~5 minutes each)
Discussion roundtable on three topics (15-20 minutes
each)
Audience questions and participation
Opening remarks: EGI
Gergely Sipos
Customer and Technical Outreach Manager, EGI
Foundation
5
The EGI federated infrastructure
300+	HTC	
providers
23	Cloud	
providers
23	members	
(NGIs	and	
CERN)
650k	CPU	
cores
285	PB	online	
storage
2.6	Billion	
CPU	
hours/year
240	Virtual	
Organisations
>48	000	users
EGI
Foundation
(Amsterdam)
EGI Service Catalogue
Compute
Storage and Data
Cloud Compute
Run virtual machines on demand with complete control over computing resources
Cloud Container Compute
Run Docker containers in a lightweight virtualised environment
Online Storage
Store, share and access your files and their metadata on a global scale
Archive Storage
Back-up your data for the long term and future use in a secure environment
Data Transfer
Transfer large sets of data from one place to another
Training
FitSM training
Learn how to manage IT services with a pragmatic and lightweight standard
Training infrastructure
Dedicated computing and storage for training and education
High-Throughput Compute
Execute thousands of computational tasks to analyse large datasets
à Aka.	‘Grid	computing’
EGI	serves	researchers	and	innovators
Research
infrastructures
Size	of	
individual
groups
Multinational	communities,	
(e.g.	H2020	projects)
‘Long	tail	of	science’
WLCG
ELI
CTA
ELIXIR
EPOS
EISCAT_3D
BBMRI
CLARIN
LOFAR
EMSO
LifeWatch
ICOS
EMSO
CORBEL
ENVRIplus
…
VRE	projects
OpenDreamKit
WeNMR
DRIHM
VERCE
MuG
AgINFRA
CMMST
LSGC
SuperSites Exploitation
Environmental	sci.
neuGRID
…
PeachNote
CEBA	Galaxy	eLab
Semiconductor	design
Main-belt	comets
Quantum	pysics studies
Virtual	imaging	(LS)
Bovine	tuberculosis	spread
Convergent	evol.	in	genomes
Geography	evolution
Seafloor	seismic	waves
3D	liver	maps	with	MRI
Metabolic	rate	modelling
Genome	alignment
Tapeworms	infection	on	fish
…
Industry,
SMEs
Agroknow
CloudEO
CloudSME
Ecohydros
gnubila
Sinergise
SixSq
TEISS
Terradue
Ubercloud
…
Introduction	to	EGI
Support	by	‘Competence	Centres’
Allocating	services	and	resources	to	
communities
Project/Community	
representing	the	VO
Negotiator Grid
provider
Cloud
provider
Operation	
Level	
Agreement
Service	
Level	
Agreement
Satisfaction	review	
(every	3/6/12	months)
Storage
provider
Service	
requirements Conditions
Applic.
provider
Performance	reports
SupportTraining
Type,	number,	size,	
cost,	availability,	etc.
Applications	On	Demand	service
Serving	the	long	tail	of	science
Scientific	
publications
Cloud,	HTC,	storage	
sites
Science	
gateway	1
Science	
gateway	2
ApScience
gateway	3
Science	
gateway	X
User	
Registration	
Portal	(URP)
Users
Support
teams
App.
1
App.
K
…
App.
1
App.
L
…
App.
1
App.
M
…
App.
1
App.
N
…
Identity	
vetting
EGI	
Accounting	
system
Usage	
stats
Usage	
stats
Approve,s
uspend
users
For Researchers
Use applications from the
catalogue
For Application Developers
Integrate applications into science
gateways
For HTC/cloud/storage
providers
Integrate resources
For providers
Receive credits via
acknowledgements
For support teams
Direct contact with the
long tail
http://access.egi.eu
Next	Community	Event
https://www.digitalinfrastructures.eu
EGI Foundation • Science Park 140 • 1098 XG Amsterdam •
The Netherlands
+31 (0)20 89 32 007 • egi.eu
support@egi.eu
Thank you!
Opening remarks: XSEDE
John Towns
Director of Collaborative eScience Programs, National
Center for Supercomputing Applications
6
July 15, 2017
XSEDE Intro
John Towns
XSEDE Principal Investigator
jtowns@ncsa.illinois.edu
Motivation for XSEDE:
• Scientific	advancement	across	multiple	disciplines	requires	a	
variety	of	resources	and	services
• XSEDE	is	about	increased	productivity	of	the	community	and	
providing	expanded	capabilities
– leads	to	more	science
– is	sometimes	the	difference	between	a	feasible	project	and	an	
impractical	one
– lowers	barriers	to	adoption
• XSEDE	provides	a	comprehensive	eScience	infrastructure	
composed	of	expertly	managed	and	evolving	advanced	
heterogeneous	digital	resources	and	services integrated	into	a	
general-purpose	infrastructure
2
XSEDE Factoids: high order bits
• 5	year,	US$110M	project
– pursuing	additional	funding	via	independent	proposals
– initial	5	year	award:	$121M	project	+	~$4.6M	in	supplements
• plus	$9M,	5	year	Technology	Investigation	Service
–separate	award	from	NSF
• No	funding	for	major	hardware
– coordination,	support	and	creating	a	national/international	cyberinfrastructure
– coordinate	allocations,	support,	training	and	documentation	for	>$100M	of	
concurrent	project	awards	from	NSF
• ~90	FTE	/~200	individuals	funded	across	19	partner	institutions
– this	requires	solid	partnering!
3
Total Research Funding Supported by XSEDE to Date
4
$2.86 billion in research
supported by XSEDE
July 2011-May 2017
Research funding only. XSEDE leverages and
integrates additional infrastructure, some
funded by NSF (e.g. Track 2 systems) and
some not (e.g. Internet2).
NSF,	$982.2M,	
34%
NIH,	$613.6M,	
21%
DOE,	$560.6M,	
20%
DOD,	$222.1M,
8%
NASA,	$114.3M,
4%
DOC,	$57.8M,
2%
All	Others,	$313.6M,	
11%
Field of Science Trends
5
0
5
10
15
20
25
30
35
40
45
50
NUsUsed(Billions)
Molecular Biosciences
Materials Research
Astronomical Sciences
Physics
Chemistry
Chemical, Thermal Systems
Atmospheric Sciences
More details on domains with
less usage will be discussed
further in the ECSS and CEE
presentations.
XSEDE offers efficient and effective integrated access to a
variety of resources
• Leading-edge	distributed	memory	systems
• Very	large	shared	memory	systems
• High	throughput	systems,	including	Open	Science	Grid	(OSG)
• Support	for	VM’s and	containers	and	HPC	Cloud
• Visualization	engines
• Accelerators	like	GPUs	and	Xeon	PHIs
• Extensive	library	of	research	applications
Many	scientific	problems	have	components	that	call	for	use	of	more	
than	one	platform.
6
International Collaborations of Infrastructures
• Some	opportunities
– science	teams	are	international;	coordinated	support
– sharing	of	operational	practices	and	policies	
– organizational	benchmarking
– coordination	of	resources
• Some	challenges
– infrastructures	have	varying	structures,	missions,	finding	time	lines,	user	
communities,	resource	and	application	types,	…
– infrastructures	are	typically	not	actually	funded	to	support	collaborations
– challenges	in	“optics”	of	potential	resource	sharing
7
More information at: www.xsede.org
8
Opening remarks: PRACE
Florian Berberich
Member of the Board of Directors PRACE aisbl
7
1 www.prace-ri.euPEARC - July 2017
Partnership for Advanced Computing in Europe
National Scale Research
Computing and Beyond
PEARC New Orleans Thursday July 13
Florian Berberich
PRACE Board of Directors
2 www.prace-ri.euPEARC - July 2017
Partnership for Advanced Computing in Europe
▶ Open access to best-of-breed HPC-systems to EU Scientists
▶ Variety of architectures to support the different scientific communities
▶ High standards in computational science and engineering
▶ Peer review at European scale to foster scientific excellence
▶ Robust and persistent funding scheme for HPC supported by the national
governments and the EC
▶ Support the development of IPR in Europe by working with public services
and European industry
▶ Collaborate with European HPC industrial users and suppliers
3 www.prace-ri.euPEARC - July 2017
MareNostrum: IBM
BSC, Barcelona, Spain
JUQUEEN: IBM
BlueGene/Q
GAUSS/FZJ
Jülich, Germany
CURIE: Bull Bullx
GENCI/CEA
Bruyères-le-Châtel, France
SuperMUC: IBM
GAUSS/LRZ
Garching, Germany
Hazel Hen: Cray
GAUSS/HLRS,
Stuttgart, Germany
MARCONI: Lenovo
CINECA
Bologna, Italy
Piz Daint: Cray XC 30
CSCS
Lugano, Switzerland
PRACE Tier-0 Systems
#3 TOP500,
25,3 PF
Peak (19,6
PF Linpack)
#21, 5,9 (5,0)
#40+41, 6,8 (5,7)
#17, 7,4 (5,6)
#14, 10,8
(6,2)
#85, 1,7
(1,4)
#13, 10,0 PF
(6,2)
4 www.prace-ri.euPEARC - July 2017
Biochemistry,	
Bioinformatics	
and	Life	Sciences	
15%
Chemical	
Sciences	and
Materials	26%
Universe	
Sciences	
16%
Mathematical	and	
Computer	Sciences	
4%
Earth	System	
Sciences	
7%
Engineering
17%
Fundamental	
Constituents	
of	matter	
15%
Supporting many scientific Domains
Research Domain Pie Chart up to and
including Call 14, % of total core hours
awarded
5 www.prace-ri.euPEARC - July 2017
PRACE Achievements to date
▶ More than 500 scientific projects enabled
▶ Over 14 thousand million core hours awarded since 2010
▶ Of which 63% are trans-national
▶ R&D access to industrial users with >50 companies supported
▶ More than 10 000 people trained by 6 PRACE Advanced Training
Centers and others PRACE events
▶ More than 60 Pflop/s of peak performance on 7 world-class systems
▶ 24 PRACE members, including 5 Hosting Members
(France, Germany, Italy, Spain and Switzerland)
6 www.prace-ri.euPEARC - July 2017
Diagram: Augusto BURGUEÑO ARJONA
Virtual
Research
Environment
Information
Infrastructure
Trends in Europe
7 www.prace-ri.euPEARC - July 2017
Trends in Europe
EOSC EDI
€ €
Int. RI, ESFRI,
CERN, EMBL Commercial MS
Governance:
• Rules of Engagements
• Standard setting
• Agenda setting
• User interface
• Catalogue of services for research
• Core service provision
• Brookerage of ext. services
• User interface
• Catalogue of services for research
• Core service provision
Researcher
EU/MS
EU/MS
Governance:
• Rules of Engagements
• Standard setting
• Agenda setting
Researcher
EGI
EUDAT
Open
AIRE
RDA
PRACE
GÉANT
…
8 www.prace-ri.euPEARC - July 2017
Trends in Europe
EOSC
EDI
Opening remarks: Compute Canada
Gregory Newby
Chief Technology Officer, Compute Canada
8
Canada’s Only National Provider of Shared Essential Digital Research
Infrastructure
● Compute Canada (CC) leads Canada’s national advanced research
computing (ARC) platform.
● There is no other major supplier in Canada.
● CC is a not-for-profit corporation. The membership includes 35 of
Canada’s major research institutions and hospitals.
● Funding is through a federal grant with matching funds from provincial
and institutional partners (40% federal / 60% provinces and institutions),
which is the basis of the federated Canadian model.
● We provide shared services to over 11,000 researchers across Canada.
No fees. Large requests based on a merit-based access system.
9
Exciting things are happening up North! Canada’s largest
research computing update ever, with $CAD 125M over
~3 years. Funded by CFI with match from provinces &
campuses. From 27 campus-based data centers, to 5
national data centers with larger, more integrated systems
Stage 1: Four sites
Stage 2: One additional site (TBA)
10
11
Serving Researchers in all Disciplines
Continued Growth in User Base
12
13
International Rankings - Log Scale
GF = Gigaflop/s
14
Impact Affirmation: Bibliometrics
Field-Weighted Citation Impact (FWCI)
of CC-enabled papers
Topic 1
15
How similar or different are your organization’s USERS
and APPLICATION AREAS to other panelists’
organizations?
What are some key similarities or differences?
Topic 2
16
Which of your organization’s PRACTICES might be
suitable for sharing or coordination with other
organizations?
Topic 3
17
What are biggest challenges facing your organization
today, for which some aspects of INTERNATIONAL
COLLABORATION or cooperation might be beneficial?
Audience Questions and Participation
18
Questions should be brief and focused
Use the program feedback form to add longer
observations, external links, etc.:
https://pearc17.sched.com/event/Asod
Panel conclusion
19
Thanks to all panelists
Thanks for audience participation and engagement
Follow-up and discussions on next steps are welcome
Use the program feedback form:
https://pearc17.sched.com/event/Asod
1 of 42

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National scale research computing and beyond pearc panel 2017