Exploring Science Gateway Use Cases for Cloud Computing
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1 Exploring Science Gateway Use Cases for Cloud Computing "! M. A. Miller, P. Papadopoulos, A. Majumdar, S. Smallen, N. Wilkins-Diehr, R. P. Wagner, M. Tatineni, R. S. Sinkovits, R. L. Moore, M. L. Norman" " San Diego Supercomputer Center" University of California San Diego"
2 Science Gateways CIPRES, NSG" Science Gateways provide easy and free access to HPC resources" CIPRES: Science Gateway for phylogenetics research" NSG: Science Gateway for computational neuroscience" There are many other successful XSEDE Science Gateways ( XSEDE" Parallel codes" XSEDE or " other resources" Workbench " Framework" Web " Interface" CIPRES, NSG SGW user" Serial codes"
3 NSF Funded CIPRES Continually Growing" CIPRES accounts for more than 30% of all XSEDE users" More than 1300 publications enabled since 2009" Staff size is less than 2 FTE " Usage 12/1/ /1/2014"
4 Neuroscience Gateway (NSG) a NSF funded Science Gateway" Went into friendly production phase in 2013 " In 2014 ~2M SUs used by neuroscience users; ~200 users" Provides parallel spiking neuronal simulation codes truly parallel simulation as well as parameter sweep type simulations" 2014 (till mid October) - # of jobs and average job size per month"
5 NSF HPC Resources" NSF has made a significant investment in HPC resources with ~10s to 100s of thousands of cores, fast interconnects, parallel file systems etc." Designed for codes that scales to many 1000s of cores" This has accelerated the rate of scientific discovery in bio science (and other science domains)" CIPRES codes run on these high end resources" Codes supported by CIPRES scale to no more than 64 cores" Significant fraction of CIPRES codes run on only 8 cores" Neuronal simulations codes scale to ~100s to ~1000s of cores" But there are many parameter sweep type simulations using ~10s to ~100s of cores"
6 Cloud Resources for Science Gateways?" What mix of high end HPC resources and Cloud resources are appropriate for SGW?" Provide the science impact needed by SGW while utilizing resources appropriately " Oversubscription of XSEDE resources is an issue" Oversubscription threatens CIPRES operation" NSG ran out of allocated SUs in both 2013 and 2014 ( and needed supplemental allocation)"
7 SGW Usage Policies" For fully allocated (and oversubscribed) resources (e.g. from XSEDE) limits are in place (within CIPRES, NSG) for max usage allowed by each SGW user" Some populations of users do not use SGW as their computational needs are greater than what SGW provides" What is the size of this population?" How are they meeting their needs?" Can a fee-for service be provided for them?" Can a cloud provider offer lower cost solution on appropriate compute resources?" Users can pay for service beyond the limit of free service" Thus avoid the limits in place for free resources"
8 Cloud Experiments for SGW" Establish minimum requirement of SGWs CIPRES, NSG, others" How do these requirements match with available provisioning options from cloud computing?" Benchmark codes on appropriate cloud resources! Network access" File systems" Data transfer" Code performance" Create distributable VM images" Any other GUI, workflow requirements etc."
9 Advantages of Clouds" High end resources can be freed up for scalable codes" Low scalability codes can move to less costly resources" Portable work environment can be moved to commercial cloud" Users can use home environment for low end runs and commercial resources for high end runs Risks" Poor scalability, performance of codes" Poor file system, negative network impact, worse data management, portability issues" The gain in throughput may not be worth the increased complexity " Will savings in H/W equipment be offset by cost of software development"
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