1. 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

2. 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

3. UNB Chemistry Dr. Scott Brownridge Dr. Larry Calhoun Andrew Flight Dr. Friedrich Grein Sophia Kondratova Andrew MacKay UNB Computer Science Dr. Eric Aubanel Adam Amos-Binks Lingke Bu Weibin Gao Sili Huang Dmitry Korkin Richard Xiao Lei Chris MacPhee Aihua Wang Jie Zhang Users UNB Mechanical Engineering Dr. Mohammad Bagher Ayani Dr. Mohammad Kermani Dr. Faysal El Khettabi Dr. Ilan Yaar UNB Physics Dr. Eugene K Ho Yue Li Dr. Zong-Chao Yan Jun-Yi Zhang UNBSJ Brian Robichaud (Computer Science) Mark Forrest (Computer Science) Shawn McGinn (Computer Science) Jason Mercer (SASE) Adam White (Computer Science) UNB Other Dr. Evelyn Richards (Forestry) Dr. Robert Tenzer (Geodesy) MTA Chemistry Erin Green Mariana Di Laudo Shenna LaPointe Chester Weatherby Dr. Stacey Wetmore Sarah Whittleton External Other Dr. Jalal Almhana (UdeM) Dr. Michael Clayton (Acadia)

4. Usage for 2002

5. Total Usage for 2000 – Present Month CPU hours

6. 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

7. Immediate Future Symphony IBM SP3 (16 processors) ME Cluster ??? (64 processors) TAPoR Cluster ??? (~32 processors) ACRL N/W 1 Gbps to ITS / CA*net 3

8. 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

9. 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

10. 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 Future