LA-SiGMA
A LONI Institute Project
Goals, Purpose, Status
Growth of Computer Power
Computational Science
An emerging interdisciplinary field that
uses computer simulation to solve
problem.
Recognized by national scientific societies
as a third way of advancing knowledge.

Blue Gene/P
1 PFLOP
294,912-procs
72-rack
1,800,000 MIPS or 1TFLOP !
1 MIPS !
57,000 MIPS !
Intel Core 2
Extreme QX6700
VAX-II 78 0 (IBM 370-158)
Intel's Teraflops Research Chip
80 cores at < 100W !
Research Group and Focus
Computational Science: Formalism, Algorithms and Codes
Progress in Applied Math
DP Landau

1E10
1E9
1E8
relativ e performance
1E7
1000000
100000
10000
1000
100
computer speed
10
1
19 70
http://www.siam.org/students/resources/report.php
19 75
19 8 0
19 8 5
19 9 0
19 9 5
2000
LA-SiGMA
Teams:
Computational, CI,
and Science Driver
LA-SiGMA
Science Drivers, Materials:
 Electronic and Magnetic
 Energy Storage and Generation
 Biomolecular
Computational Teams
 Next Gen. Monte Carlo
 DFT and Force Fields
 Large Scale MD
CyberInfrastructure
 Common Computational Tools
 Data-sharing and management

linear
SD
Teams
CS and CI glue LA-SiGMA
Fund Teams, not individuals
Funding allocated according
to team membership.
 Seed $ (i.e. CMSN).
 CS/CI supplement

coarse-grained
star/dendrimer star
Impact Beyond Research
Success = All must participate
LA-SiGMA is a coop. agreement with NSF
Outreach
 2 coordinators
 LSU
 LaTech
 REU, RET
 Diversity effort.
 Preparation for the Professorship
Education
 Courses offered via synchronous and asynchronous
video
 Computational Science, MC and MD methods,
 Solid State Physics
 Many More!
 $ development and teaching of LA-SiGMA courses.
 1/2—1/4 month summer support

Funds for new equipment
LA-SiGMA Goals
Strong Multi-disciplinary and multiinstitutional research teams.
st
Multi-scale tools to leverage the 21
century cyberinfrastructure.
Transform research and education in
computational materials science.
Establish a pipeline to LA-SiGMA
Leverage new funding opportunities to
develop statewide excellence
Establish an externally funded National
Center of Excellence in Computational
Materials Science

Today
Now—2:00: Randy and Ramu will discuss outreach and administration
 2:00—3:00: Brief talks from Team leaders
 discuss how the effort of your team can positively impact the efforts of
the other teams (particularly the science driver teams), participate in
the education and outreach efforts, and pursue other sources of
funding.
 Lay the groundwork for the breakout sessions
 3:00—3:30: Break
 3:30—4:30: Breakout Sessions
 Complete the worksheets
 Strategic plan due within 90 days of start date. The worksheets s will
help the PET prepare a draft document.
