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Future of High Performance Computing at UNB. Virendra Bhavsar & Chris MacPhee Advanced Computational Research Laboratory (ACRL) Faculty of Computer Science University of New Brunswick Fredericton, NB. ACRL Current Status.

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Future of high performance computing at unb
Future of High Performance Computing at UNB

Virendra Bhavsar & Chris MacPhee

Advanced Computational Research Laboratory (ACRL)

Faculty of Computer Science

University of New Brunswick

Fredericton, NB


Acrl current status
ACRL Current Status

Hardware:Symphony IBM SP3 (16 processors) Condor Cluster PC Cluster (82 processors)

Personnel:Virendra Bhavsar, Director Chris Macphee, TASP Sean Seeley, System Support


Users

UNB ChemistryDr. Scott BrownridgeDr. Larry CalhounAndrew FlightDr. Friedrich Grein Sophia KondratovaAndrew MacKay

UNB Computer ScienceDr. Eric AubanelAdam Amos-BinksLingke BuWeibin GaoSili HuangDmitry KorkinRichard Xiao LeiChris MacPheeAihua WangJie Zhang

UNB OtherDr. Evelyn Richards (Forestry)Dr. Robert Tenzer (Geodesy)

MTA ChemistryErin GreenMariana Di LaudoShenna LaPointeChester WeatherbyDr. Stacey WetmoreSarah Whittleton

External OtherDr. Jalal Almhana (UdeM)Dr. Michael Clayton (Acadia)

UNB Mechanical EngineeringDr. Mohammad Bagher AyaniDr. Mohammad KermaniDr. Faysal El KhettabiDr. Ilan Yaar

UNB PhysicsDr. Eugene K HoYue LiDr. Zong-Chao YanJun-Yi Zhang

UNBSJBrian Robichaud (Computer Science)Mark Forrest (Computer Science)Shawn McGinn (Computer Science)Jason Mercer (SASE)Adam White (Computer Science)




Condor Usage

Condor Cluster

Hardware: 82 processors

Software: Amber 7 Autodock Gaussian MCNP MPI / PVM (in progress)

Provided 10,000 CPU hours via MCNP in 2 weeks!

Note: - Powerful for sequential jobs (3x more powerful than Symphony) - Inefficient for parallel jobs


Immediate future
Immediate Future

Symphony

IBM SP3

(16 processors)

TAPoR Cluster

???

(~32 processors)

ME Cluster

???

(64 processors)

ACRL N/W

1 Gbps to ITS / CA*net 3


Acrl s noi
ACRL's NOI

Advanced Computational Research Centre (ACRC)

Possible Partners: Mount Allison University, National Research Council, New Brunswick Community Colleges & Companies, University de Moncton

Configuration: 512 processors / 730 GB disk space 24 visualization workstations $250,000 in software (Gaussian, Portland Group Compiler, etc)

Budget:~$3,000,000


Acenet combined noi

Atlantic Canada Excellent Network (ACEnet)

Combined CFI Proposal

Partners: MUN (Mark Whitmore); Saint Francis Xavier University (Peter Poole) Saint Mary's University (David Clarke); UNB (Virendra Bhavsar)

Configuration: TBA

Budget: ~$20,000,000

ACEnet Combined NOI


Future

1. Future Hardware/Software Requirements

  • Hardware Requirements: Clusters? SMPs? High speed interconnect

  • Software Requirements: Gaussian with Linda? Portland Compiler?

    2. ACRL  Advanced Computational Research Centre (ACRC)

  • CFI Proposal –Scientific content, Equipment content, Budget, …

  • Management Structure

  • Sustainable model – Personnel, maintenance costs, travel, phones, etc.

    3. Other Items


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