1. October 2003 Tonight’s Presentations: Mr. David Roach Director, Mississippi Center for Supercomputing Research University, Mississippi Mr. Eigoro Hashimoto Senior Research Scientist Naval Oceanographic Office (NAVOCEANO)/Lockheed Martin Space Operations Major Shared Resource Center (MSRC) Stennis Space Center, MS

2. October 2003 The Mississippi Center for Supercomputing Research

3. October 2003 Background History: –1987 Standard Oil Donates Cyber 205 Supercomputer to UM –6 Supercomputers over the Past 14 Years –Separate from UM in budget of MS Legislature Mission: High Performance Computing Support –Provides Computing Cycles, Applications, and Support –Enhances Instructional and Research Climates –Serves all 8 Mississippi Public Universities –Helps Bring Research $$$ into Mississippi

4. October 2003 Why use MCSR? Reference us in proposals to secure grants for computationally intensive research. Leave the fast computing to us. Use our specialized math, science, and engineering packages in your instruction or research. Let your students learn on us. Tap into our experience in Unix, Linux, and Cluster Building.

5. October 2003 Current Systems SGI Origin 2800 –128 CPUs –64 GB Memory –1.6 Terabytes of Disk Cray C916 –10 Processors –1 Gigaword Memory –512 megaword solid-state storage device (SSD) –460 Gigabytes of Disk Space Linux Beowulf –219 Node Cluster of Compaq, Dell, Gateway, & CSI Intel Processors SGI Origin 200 –1 Processor –256 MB Memory SGI Onyx 10000 –8 Processors –Infinite Reality Graphics

6. October 2003 Magnolia Cray C916/10-1024 running Unicos 10 (Unix) Installed October, 1999 FORTRAN, C/C++ Compilers Optimization via: –Vectorization –Fortran autotasking –C Microtasking

7. October 2003 SGI Origin 2800 (Sweetgum) Hardware –128 CPUs 64 R12000 300 MHz CPUs 64 R10000 195 MHz CPUs –64 Gigabytes shared memory –1.6 Terabyates of fiberchannel disk –Irix 6.5.17f (Unix) –Gigabit uplink to Internet2 –Origin 2000 (1999) + 2 nd Origin 2000 (2002) = Origin 2800

8. October 2003 SGI Origin 2800 (Sweetgum) Programming Environment IRIX (Unix-based) OS (6.5.17f) MIPSpro FORTRAN, C, C++ Compilers (7.3.1.3) Math/Scientific Libraries - LAPACK, BLAS, ARPACK, LINPACK Optimization via Parallelization –Directives-based approach: Fortran, C, C++, HPF, OpenMP via compiler directives Automatically via Power Fortran Accelerator –Message Passing Approach: MPI (message library calls from Fortran/C/C++)

9. October 2003 SGI Origin 2800 (Sweetgum) Applications GAMESS, Gaussian 94/98/03, UNICHEM IMSL MATLAB ABAQUS & PATRAN NCAR Graphics Xgnuplot PETSc

10. October 2003 Mimosa Hardware 219 Intel single-processor nodes –1 Master + 212 Compute + 6 I/O = 219 nodes –P4’s and P3’s with 500MB – 1GB memory each –Dell, Compaq, Gateway, and CSI desktop systems 4 rows of cabinets Upgrading from 100Mbps to Gigabit Ethernet http://www.mcsr.olemiss.edu/computing/diagrams/mimosa.htm

11. October 2003 Mimosa Programming Environment RedHat Linux 8.0 PGI CDK w/Fortran, C/C++ compilers PBS Pro Optimization via Parallelization –Fortran, C, C++ via compiler directives –Automatically via Power Fortran Accelerator –MPI - PGI MPI 4.1 and MPICH 1.2.4 Math/Scientific Computing Libraries LAPACK, BLAS, ARPACK

12. October 2003 Mimosa Applications Guassian 98 GAMESS NWChem PETSc

13. October 2003 Onyx Hardware 8 R10000 195 MHz Processors 2GB Memory Infinite Reality Graphics Engine supporting Sirius Video Software Irix MIPSPro Fortran, C/C++ OpenGL, GLUT

14. October 2003 MCSR Software/Applications Finite Element Analysis: Abaqus, Patran, Dyna-3DAbaqus Chemistry: Gaussian, UniChem, NWChemChemistry Math: IMSL, Matlab Compilers: FORTRAN, C/C++,, HPF Parallel Programming: MPI (MPICH, LAM), Batch Jobs Systems: NQS, PBSMPIPBS Communications: Secure Shell, Xwin-32Secure ShellXwin-32

15. October 2003 UM Research Server willow.olemiss.edu Sun 420R w/4 450 MHz CPU’s, 4096 MB, Solaris 7 Generally, a UM resource (all students & faculty) –Exceptions granted to IHLs based on need and availability Computational Research, Instruction, Self-paced learning Math/Statistics: SAS, SPSS, Limdep, Lisrel, IMSLMath/Statistics Programming: FORTRAN 77/90, C/C++, Java, MySQLFORTRAN 77/90C/C++ JavaMySQL http://www.mcsr.olemiss.edu/computing/willow.html

16. October 2003 MCSR Services 3 Supercompting User Consultants; 1 Stats Consultant Support: Email/Phone/Walk-in/On-site/Web (FAQs, Articles) Unix/Linux Questions (Unix Help for Users)Unix Help for Users Account and connectivity troubleshooting Negotiating MCSR job queues; Optimization; Parallelization Seminars/Tours (Unix/Linux, Parallel Programming, Clustering) Linux clustering consulting Mailing list management Unix/Linux SysAdmin Troubleshooting (Irix, Solaris)

17. October 2003 Who Uses MCSR Systems? We currently support over 722 research accounts on all MCSR systems and over 750 individual and class accounts. During our history, we have supported over 500 research projects.

18. October 2003 What kinds of research? FY 2003 saw over $35 million in active grants for MCSR researchers, covering research projects including: Assembling novel materials from molecular clusters Silicon Stabilization of Alpha/beta silanes. Automobile Crash Test Modeling Seismic Vulnerability Modeling Antennae Design Routing/Scheduling Optimization many others….

19. October 2003 MCSR Accounts MCSR accounts for students/faculty of 8 MS public UniversitiesMCSR accounts UM Research Server accounts for UM students/faculty only Non-Research Account Categories General/Instructional (open-ended for learning use) Class (sets of class accounts for one semester only) Applying for an Individual Account Individual Computer Account Request Form IT Helpdesk (117 Powers Hall) Copy of University ID Signed Copy of UM Appropriate Use PolicyUM Appropriate Use Policy

20. October 2003 MCSR Accounts (cont.) Research Accounts for MCSR servers only Research Accounts have more privileged system use /ptmp directories increased job priorities Research Categories Thesis/Dissertation Research (Open-ended Research without Funding) Pending Funded Research (research w/pending grants) Funded Research (one or more current grants) Apply for Research Accounts using Online Acct. Manager https://secure.olemiss.edu/resdb/

21. October 2003 Communicating with MCSR Browse www.mcsr.olemiss.eduwww.mcsr.olemiss.edu Email assist@mcsr.olemiss.eduassist@mcsr.olemiss.edu Call (662) 915-7206; ask for a supercomputer consultant Walk in to 1 st floor, Powers Hall Schedule or attend Workshops/Seminars Read MCSR News Flashes www.mcsr.olemiss.edu/newsflash Emailed to research accounts (mcsr-users mailing list) news | pg MCSR E-Newsletter MCSR Account Manager (accounts, grants, email addresses)

22. October 2003 Reported research funds were $35,480,858 in FY2003, up 242% since FY1999

23. October 2003 MCSR FY2003 budget: $1,213,234 in FY2003, down from $1,913,110 in FY1999

24. October 2003 MCSR supported a total of 722 research accounts across all systems in FY2003

25. October 2003 537,762 CPU hours were generated on the SGI Origin Supercomputer for MCSR researchers in FY2003

26. October 2003 2,932,619 System Billing Units were generated for the Cray supercomputer in FY2003

27. October 2003 There were over $29 in active research grants for every $1 spent on MCSR in FY2003

28. October 2003 Examples of Research Projects at the Mississippi Center for Supercomputing Research

29. October 2003 The Hearin Center for Enterprise Science Travelling Salesman Problem Group Technology Problem Telecommunication Network Allocation

30. October 2003 LIDAR Digital Terrain Model LIDAR Terrain surface with CL profile LIDAR data point and CL profile

31. October 2003 Velocity Components for LSCC

32. October 2003 NCOM ¼ → NRLPOM 7km → NRLPOM 1.5km→ NRLPOM 0.5km NOGAPS DAMPS_27 DAMPS_9 DAMPS_9 +tide An example of coupling nesting procedure in Oceanographic Modeling

33. October 2003 Important features of ARPACK with respect to this QM calculation include: Ability to return a select number of eigenvalues (k) where k is much, much smaller than the order of the matrix, n. Small, fixed storage requirement. Only the action of the matrix on a vector is needed ARPACK Linear Algerbra Libraries