1. November 2004 The Mississippi Center for Supercomputing Research

2. November 2004 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

3. November 2004 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.

4. November 2004 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 Altix 3700 –64 Processors –64 GB Memory SGI Onyx 10000 –8 Processors –Infinite Reality Graphics

5. November 2004 Magnolia Cray C916/10-1024 running Unicos 10 (Unix) Installed October, 1999 FORTRAN, C/C++ Compilers Optimization via: –Vectorization –Fortran autotasking –C Microtasking

6. November 2004 Redwood SGI 3700 Super Cluster (Linux) Installed June, 2004 64 CPUs, 64 GB Memory FORTRAN, C/C++ Compilers Optimization via: –Parallel processing –Message Passing (MPI) –Shared Memory (OpenMP)

7. November 2004 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. November 2004 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. November 2004 SGI Origin 2800 (Sweetgum) Applications GAMESS, Gaussian 94/98/03, UNICHEM IMSL MATLAB ABAQUS & PATRAN NCAR Graphics Xgnuplot PETSc

10. November 2004 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 Gigabit Ethernet http://www.mcsr.olemiss.edu/computing/diagrams/mimosa.htm

11. November 2004

12. 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

13. November 2004 Mimosa Applications Guassian 98 GAMESS NWChem PETSc

14. November 2004 Onyx Hardware 8 R10000 195 MHz Processors 2GB Memory Infinite Reality Graphics Engine supporting Sirius Video Software Irix MIPSPro Fortran, C/C++ OpenGL, GLUT MPI

15. November 2004 MCSR Software/Applications Finite Element Analysis: Abaqus, Patran, Dyna-3DAbaqus Chemistry: Gaussian, NWChem, AmberChemistry 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

16. November 2004 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, IMSL, MatlabMath/Statistics Programming: FORTRAN 77/90, C/C++, Java, MySQLFORTRAN 77/90C/C++ JavaMySQL http://www.mcsr.olemiss.edu/computing/willow.html

17. November 2004 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)

18. November 2004 Who Uses MCSR Systems? We currently support over 813 research accounts on all MCSR systems and over 750 individual and class accounts. During our history, we have supported over 500 research projects.

19. November 2004 What kinds of research? FY 2004 saw over $40 million in active grants for MCSR researchers, covering research projects including: Assembling novel materials from molecular clusters Silicon Stabilization of Alpha/beta silanes. Automobile Crush Test Modeling Seismic Vulnerability Modeling Antennae Design Routing/Scheduling Optimization many others….

20. November 2004 MCSR Accounts MCSR accounts for students/faculty of 8 MS public UniversitiesMCSR accounts UM Research Server accounts for UM students/faculty Research Server accounts for other IHLs (based on need) 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 (Weir Hall) Copy of University ID Signed Copy of UM Appropriate Use PolicyUM Appropriate Use Policy

21. November 2004 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/

22. November 2004 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 Weir Hall, UM campus 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)

23. November 2004 Reported research funds were $35,480,858 in FY2003, up 242% since FY1999

24. November 2004 MCSR FY2003 budget: $1,213,234 in FY2003, down from $1,913,110 in FY1999

25. November 2004 MCSR supported a total of 722 research accounts across all systems in FY2003

26. November 2004 537,762 CPU hours were generated on the SGI Origin Supercomputer for MCSR researchers in FY2003

27. November 2004 2,932,619 System Billing Units were generated for the Cray supercomputer in FY2003

28. November 2004 There were over $29 in active research grants for every $1 spent on MCSR in FY2003