Slides of a talk given to the Barcelona's Java Users Group

1. INTRODUCTION TO CLOUD
Alfons Nonell-Canals, PhD
CEO
@alfonsnic - alfons@mindthebyte.com
MIND THE BYTE, S.L. - BARCELONA SCIENCE PARK

2. I’M NOT A GURU

3. I’M NOT A GURU
Several years ago... BsC in Pharmacy
"Less years" ago... PhD in Computational Chemistry
Few years ago... Postdoc in Computer Aided Drug Discovery

4. I’M NOT A GURU
I’m the CEO of a company specialized in research, develop and
provide scientific cloud solutions for bioinformatics and drug
discovery

5. MIND THE BYTE
MIND THE BYTE, S.L. - BARCELONA SCIENCE PARK

6. MIND THE BYTE
Mind the Byte is a research company specialized providing
(cloud) in silico drug discovery solutions
In silico drug discovery
Cloud platforms
SaaS Solutions

7. IN SILICO DRUG DISCOVERY
Different tools, methodologies and techniques of computational
chemistry to improve and rationalize the drug discovery process
Molecular modelling
Molecular dynamics
Virtual screening
Searches and compounds
comparisons
Homology modelling
Docking

8. IN SILICO DRUG DISCOVERY
Different tools, methodologies and techniques of computational
chemistry to improve and rationalize the drug discovery process
High performance computing

9. HIGH PERFORMANCE COMPUTING
Computing

10. HIGH PERFORMANCE COMPUTING
Computing

11. HIGH PERFORMANCE COMPUTING
Computing
Storage

12. HIGH PERFORMANCE COMPUTING
Computing
Storage

13. HIGH PERFORMANCE COMPUTING
Computing
Storage
Webserver

14. HIGH PERFORMANCE COMPUTING
Computing
Storage
Webserver

15. HIGH PERFORMANCE COMPUTING
"Classical" approach problems...
Initial investment
Flexibility
Maintenance
Upgrades
...

16. MIND THE BYTE
Mind the Byte is a research company specialized providing cloud
in silico drug discovery solutions

17. WHAT IS THE CLOUD?
Cloud computing is the delivery of computing as a service rather
than a product, whereby shared resources, software, and
information are provied to computers and other devices as a
metered service over the network, tipically, the Internet.
(wikipedia).

18. *AAS
*aaS: almost everything as a service
PaaS
SaaS
IaaS
NaaS

19. *AAS
*aaS: almost everything as a service

20. CLOUD PROVIDERS: PICLOUD
Cloud environment for
your Python shell
Uses Amazon Web
Services infrastructure
Scalable (by you and by
PiCloud)
No requires computer
management
Pay only for real use

21. CLOUD PROVIDERS: PICLOUD
Your Python shell
import math
math.sin(9)
0.41211848524175659
Your Python shell + PiCloud
import math
import cloud
cloud.setkey(555,’5wfwef8h9fnv89j89gfj34tf’)
jid = cloud.call(math.sin,9)
cloud.status(jid)
cloud.result(jid)
0.41211848524175659

22. CLOUD PROVIDERS

23. AMAZON WEB SERVICES
Is one of the most important IaaS/PaaS provider. AWS provides a
complete set of cloud computing services including:
Compute & Networking
Storage & CDN
Databases
Application Services
Deploy & Management
AWS Marketplace & Software

24. COMPUTE & NETWORKING
Amazon EC2
Autoscaling
Elastic Load Balancing (ELB)
Amazon VPC
Amazon Route 53
AWS Direct Connect

25. COMPUTE & NETWORKING
Amazon EC2
Autoscaling
Elastic Load Balancing (ELB)
Amazon VPC
Amazon Route 53
AWS Direct Connect

26. STORAGE & CDN
Amazon S3
Amazon Glacier
Amazon EBS
AWS Import/Export
AWS Storage Gatweay
Amazon Cloud Front

27. STORAGE & CDN
Amazon S3
Amazon Glacier
Amazon EBS
AWS Import/Export
AWS Storage Gatweay
Amazon Cloud Front

28. DATABASE
Amazon RDS
Amazon DynamoDB
Amazon Elastic Cache
Amazon Reshift

29. DATABASE
Amazon RDS
Amazon DynamoDB
Amazon Elastic Cache
Amazon Reshift

30. APPLICATION SERVICES
Amazon CloudSearch
Amazon SWF
Amazon SQS
Amazon SES
Amazon SNS
Amazon FPS
Amazon Elastic Transcoder

31. APPLICATION SERVICES
Amazon CloudSearch
Amazon SWF
Amazon SQS
Amazon SES
Amazon SNS
Amazon FPS
Amazon Elastic Transcoder

32. DEPLOY & MANAGEMENT
AWS Management Console
AWS Identify and Access Management (AIM)
Amazon CloudWatch
AWS Elastic Beanstalk
AWS CloudFormation
AWS Data Pipeline
AWS OpsWorks
AWS CloudHSM

33. DEPLOY & MANAGEMENT
AWS Management Console
AWS Identify and Access Management (AIM)
Amazon CloudWatch
AWS Elastic Beanstalk
AWS CloudFormation
AWS Data Pipeline
AWS OpsWorks
AWS CloudHSM

34. HOW TO MANAGE THE AWS CLOUD?

35. HOW TO MANAGE THE AWS CLOUD?
AWS Console

36. HOW TO MANAGE THE AWS CLOUD?
AWS API/Libs
AWS console tools
Python
Java
JavaScript
Ruby
PHP
Mobile
Windows & .NET

37. SUMMARIZING...
Elastic Cloud Compute (EC2)
Hundreds of available AMIS (images)
Lots of possible "configurations"
Create your own AMIs
Spot Instances to reduce the prices
Linux/Windows servers

38. SUMMARIZING...
Elastic Cloud Compute (EC2)

39. SUMMARIZING...
Elastic Cloud Compute (EC2)

40. SUMMARIZING...
Autoscaling + Elastic Load Balancing (ELB)
Automatically scale your resources
Different rules
Send the traffic to the less overload machine

41. SUMMARIZING...
Amazon VPC
Define your (sub)networks
Gateways
Isolate computers
VPN to your in house servers

42. SUMMARIZING...
Amazon S3 - Amazon CloudFront
Store and/or deliver your static content
Encrypt and set permissions
Media streaming
Backups (Glacier)

43. SUMMARIZING...
RDS
mySQL/Oracle/SQL Server
Backups
Provisioned IOPS
No server maintenance

44. SOME EXAMPLES
AWS can be used to do all you want (almost). HPC, webservices,
API servers, computational drug discovery, backups,...

45. API SERVER ON THE CLOUD

46. WEBSERVICES/WEBAPPS

47. HPC (I)

48. HPC (II): HURAKAN

49. ADVANTAGES
Cloud computing allow us to be always ready for possible spikes
in work, to create a big cluster in seconds, skip initial
investments, to be always up, to avoid maintenance and
hardware replacements,...

50. THANK YOU
Alfons Nonell-Canals, PhD
alfons@mindthebyte.com - +34 93 402 09 38 - @alfonsnic
Mind the Byte, S.L.
Barcelona Science Park
C/ Baldiri Reixac, 4-8 - 08028 Barcelona