1. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Template for Group Work in Undergraduate Supercomputing Kris Stewart San Diego State University NPACI Ed Center on CSE stewart@sdsu.edu www.edcenter.sdsu.edu Local url

2. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 What is Computational Science? Science Discipline Physics, Chemistry, Biology, etc. Computer Science Hardware/Software Applied Mathematics Numerical Analysis, Modeling, Simulation

3. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 What is Computational Science? Science Discipline Physics, Chemistry, Biology, etc. Computer Science Hardware/Software Applied Mathematics Numerical Analysis, Modeling, Simulation Teamwork and Collaboration

4. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 What is computational science? NPACI unites teams of computational scientists among the partnership sites using the Internet

5. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Computational Science 2001 Future Science Computer Science Applied Math

6. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Classroom Experience in CS 575 Supercomputing Home page www.stewart.cs.sdsu.edu/cs575/www.stewart.cs.sdsu.edu/cs575/ Prerequisites: Programming background in Fortran or C Intended as an interdisciplinary course for science/engineering. Goal: Develop Understanding of Performance What does High Performance Computing Mean? Metrics? Accuracy performance? Run-time performance? TEXT: High Performance Computing - Second Ed. K. Dowd, C. Severence, O’Reilly Pub. 1998

7. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Class Structure Structured Evolution of Course AssignmentsCourse Assignments Individual - 1 Web-page for report using template in class account directory Email notification to instructor by deadline when completed Topic: use UNIX timer, dtime Individual - 2 Web Template for report, email as before Topic: Insert timer calls in instructor provided code solving linear system of N equations, N=2, 4, 8, 16, 32, 64,... Observe O(N^2) for solve? O(N^3) for decomposition? Clearly report your discoveries and data that justifies conclusions. First day - self-assessment of programming language and compute platform experience communication in English - both written and verbal

8. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Class Assignments - Evolving into Cooperative Learning Paradigm Peer Review of Second Individual Computational Experiment, done by future group member. Announcement of Groups - arbitrarily assigned by instructor. Preliminary self-assessment avoids groups with all poor English skills which is needed at SDSU which has no majority population. First Group Computational Assignment chosen from list provided by instructor. Solve system of ordinary differential equations modeling “science problem” using simple solver RKF45. Gather data to discuss accuracy performance and run-time performance of computed solution. Write a report describing findings. Second Group Computational Assignment - port code to Cray T90 and explore performance and write report of findings.

9. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Surveys and Assignments (the Template) Examine the overview of the course http://www.stewart.cs.sdsu.edu/cs575/ http://www.stewart.cs.sdsu.edu/cs575/ Examine the overall organization from the class calendar http://www.stewart.cs.sdsu.edu/cs575/calendar.html http://www.stewart.cs.sdsu.edu/cs575/calendar.html Examine the record from the course and see if any of the assignments might be of use http://www.stewart.cs.sdsu.edu/cs575/assigns99.html

10. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Evaluation and Assessment of Classroom Practice Student Surveys - Need a compatible tool for instructor to examine results with Sociology WorkBench (SWB) developed by team of undergraduate computer science majors employed by the EC/CSE

11. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Computational Science Curricula Evaluation and Assessment 11 User-Friendly Handbook for Project Evaluation: Science, Mathematics, Engineering and Technology Education, NSF 93-152 www.ehr.nsf.gov/EHR/RED/EVAL/handbook/handbook.htm www.ehr.nsf.gov/EHR/RED/EVAL/handbook/handbook.htm Learning through Evaluation, Adaptation and Dissemination, U. Wisconsin NPACI partner “Template for a Group-Work Paradigm in an Undergraduate Supercomputing Course”, www.edcenter.sdsu.edu/projects/hpcu/kris_hpcu.pdf www.edcenter.sdsu.edu/projects/hpcu/kris_hpcu.pdf

12. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 SWB Convenient Tool to Learn from Student Survey Data Online tool for “standard public data sets” or your own data set http://edcenter.sdsu.eduhttp://edcenter.sdsu.edu Small Sample, therefore only useful as feedback for the instructor Can be used with “forms” interface directly into SWB format, as in June ‘99 CSU Faculty Workshop

13. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 SWB as Analysis Tool

14. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Education Center on Computational Science & Engineering 14 Mission: Foster the incorporation of high performance research tools for scientific investigation into the undergraduate curriculum to better prepare learners for post-Baccalaureate activities where: Collaborative, interdisciplinary teams, Sophisticated computer tools and Effective communication among the team members and with others are used in research and problem solving.

15. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Introduce the EC/CSE (duplicate slide from earlier presentaion) 15 The mission of the Ed Center on Computational Science and Engineering? www.edcenter.sdsu.edu www.edcenter.sdsu.edu Who are the people involved? www.edcenter.sdsu.edu/staff www.edcenter.sdsu.edu/staff Some of our projects: www.edcenter.sdsu.edu/projects/ www.edcenter.sdsu.edu/projects/ Some of our activities: www.edcenter.sdsu.edu/news/ www.edcenter.sdsu.edu/news/ Some resources: www.edcenter.sdsu.edu/repositorywww.edcenter.sdsu.edu/repository Sid Karin: The Importance of Science Literacy in a Computing World (see enVision Sci ence Magazine, V.15 No. 2)

16. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 The mission of EOT-PACI is to develop human resources through the innovative use of emerging information technologies in order to understand and solve problems in education, science, business, government, and society. 16

17. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Education Goal: Support a national level systemic impact on CS&E education (k-12, undergrad, grad/training, informal science) www.edcenter.sdsu.edu www.shodor.org mvhs1.mbhs.edu www.ncsa.uiuc.edu/edu/chemviz biology.ncsa.uiuc.edu www.krellinst.org whyfiles.news.wisc.edu 17

18. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Education: some remarkable projects Chickscope students watch embryo maturing using magnetic resonance imaging (MRI) over the Web Chemviz visualization tools and curriculum for computational chemistry (quantum chemistry computations, web crystallographic databases, etc.) The WHY files explanation of science behind the news (NISE) Biology Workbench collection of computational biology tools and databases Maryland Virtual High School Core models in the K12 classroom Sociology Workbench Online tools for survey data analysis, e.g. student evaluations 18

19. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Learning Technologies Goal: Develop, apply, and assess computational tools that enhance learning trurl.npac.syr.edu/tango Java-based Web collaboratory for distributed learning http://www.ncsa.uiuc.edu/Cyberia/RiverWeb Environmental hydrology workbench, watershed mapping and modeling tools http://www.ncsa.uiuc.edu/edu/courses/spring98/:// Course broadcast over the Web 19

20. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Access & Inclusion Goal: Increase participation and success of women, minorities and people with disabilities in CS&E and in PACI Universal design and disability access trace.wisc.edu CDC Coalition to Diversify Computing www.npaci.edu/Outreach/CDC www.cra.org/Activities/craw GirlTECH www.crpc.rice.edu/CRPC Spend a Summer with a Scientist www.aihec.org 20

21. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 NPACI Partnership Organizing Principle: “Thrusts” EDUCATION, OUTREACH, AND TRAINING 4 APPLICATIONS Molecular Science Neuroscience Earth Systems Science Engineering 4 TECHNOLOGIES Metasystems Programming Tools and Environments Data-intensive Computing Interaction Environments RESOURCES

22. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Advancing the Computational Infrastructure Resources -- Today’s Digital Laboratory High-performance computing available today to the academic community Develop and Deploy Technology and application collaborations to push the capabilities of tomorrow’s digital laboratory Use and Apply Computational scientists applying enhanced capabilities to achieve new scientific results Disseminate and Incorporate Incorporating technologies into the digital laboratory and disseminating them for use in new communities

23. N ATIONAL P ARTNERSHIP FOR A DVANCED C OMPUTATIONAL I NFRASTRUCTURE HPC Users Group Meeting, SUNY Stonybrook, Aug. 17-21, 1999 Sources of Information NPACI Partnership Report Touch the Future enVision quarterly science magazine, especially June99 “The Importance of Science Literacy in a Computing World”, Sid Karin www.npaci.edu/envision/v15.2/director.html www.npaci.edu/envision/v15.2/director.html “Online” biweekly electronic publication, www.npaci.edu/online/ www.npaci.edu/online/ www.npaci.edu