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Research Business Technology
Pfizer Enterprise Elastic HPC
Mike Miller
Pfizer Research Business Technology
May 18th Prism Meeting
Stockholm Sweden
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How do we define HPC?
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• Simply summarized as the computational laboratory• Consists of:
• Desktop/Services, integrated with• Global high performance cached file system • Centralized large capacity/capability compute resources
• Used by:• Direct
• 300-400 expert computational scientists in chemistry, biology, DMPK, stats, pharm sci & clin pharm
• Indirect• >2000 lab scientists using desktop apps that utilize HPC compute
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The Evolution of HPC at Pfizer
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2004 150 blades (300 cores)
2000 SGI Origins (128 cores)
2009 6 x3950 (520 cores)
2010 on-demand Amazon VPC
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Intersection of “The Cloud” and HPC
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Pfizer VPC Overview
• The Pfizer Virtual Private Cloud (pilot effort) has been
implemented an extension of our physical data center.
• Infrastructure as a service affords rapid provisioning
without compromising on:
– Security
– Compatibility
– Accessibility
– Agility
– Utility
• Implementation
Groton DMZ AmazonWeb Services
CloudSecure VPN Connection over the Internet
Subnets
Pfizer’s isolated VPC resources
RouterVPN Gateway
AWS Virginia DC
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Feature AWS Internal VM’s
Data Center
Required to be joined to the Pfizer networkSecurity Monitoring
PublicConfidentiality
$0 mid-10’s $ Low 1000’s $Provisioning Costs
AMI/Xen XenVMWare Bare Metal
Avail. Config.
1 hr 4 hrs 2-8 wksProvisioning SLA
100-1000s 10-100s 1-10sRequest Capacity/Wk
low-10’s $ high-10’s$ Low-100’s $Runtime/Depreciation
Support Model 8x57x24Self / incident
OS ConfigurationsSolaris,
AS 400Windows server 2003/2008
Linux REHL 5.x
Environment POC
HPC HPC
Support SLAs None 24 hrImmediate
1 hr. 1 mo. 6 mo.Min. Billable Period
Controls Black Box System root level access Qualified / Validated
Stand AloneModerate
Complexity SimpleHigh
Dev / Test ProdCom
putin
g R
equi
rem
ents
com
e in
Man
y fo
rms
low med high
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Security
• Amazon practices & security measures successfully met audit criteria for Research level use
• Pfizer employed the same security systems used internally– IP-sec tunnels in to AWS
– Pfizer Global Active Directory• Joining machines and managing permissions
– Linux & Windows
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Compatibility
• To get the most benefit from the cloud it was necessary to align AWS resource offerings with existing internal systems:– AMI’s (VM) Pfizer Qualified RHEL 5 image
• Centrify/AD provides identification/authorization • Kerberos credentials via AD
– File cache (storage) OpenAFS volumes accessible– IP mappings Pfizer DNS
• AMI’s have Pfizer network identities & are discoverable– Allows AMI’s to be part of our LSF cluster– Users can do development work accessing the full range of Pfizer
resources• e.g. Software licenses utilize the pfizer flexlm server
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Availability
• AD & DNS give us full range of access to internal systems– LSF for job scheduling
– Oracle / mySQL instances for accessing structured data
– AFS for secure access to unstructured data• High performance via local caching
– Access to licensed and internally developed software
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Agility
• The $50M decision– Required completion of a time sensitive
chemoinformatics task• Workload was diverted from internal resources so they
could be dedicated.
• Within 30 min 64 cores were spun up and joined to LSF
• For 4 days >50,000 jobs were executed
• Total cost <$1,500
– Results were obtained on-time and the decision taken
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Utility
• Internal Application Development– Tomcat web applications– Nightly builds & regression testing
• HPC capacity– Over 250 apps are accessible– LSF uses resource specifications to determine
suitability and schedules jobs accordingly• Over 100,000 jobs run
– QM, ab initio
– Virtual screening
– Systems biology
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Implementation
• From PoC Production– Provisioning, exploring commercial solutions that
enable:• One-time actions
– Integrate with our procurement system• Move to a debit (pre-allocated funding) model
– Standard configurations
• Repeatable actions– Start/ Stop instances via a user centric dashboard
• User’s manage / are accountable for the resources they use
• LSF– Custom code
• detect workload• Start / Stop AMI’s• Leverage accounting