DEPARTMENT OF ENERGY For more information about the Office of Science, go to Office of Science |
To DOE National Laboratories LAB 06-04 Scientific Discovery through Advanced Computing
SUMMARY: The Office of Science (SC), U.S. Department of Energy (DOE), hereby
announces interest in receiving peer-reviewable Field Work Proposals (FWPs) for projects in the
Scientific Discovery through Advanced Computing (SciDAC) research program. The SciDAC
program was initiated in 2001 as a partnership involving all SC program offices-Advanced
Scientific Computing Research, Basic Energy Sciences, Biological and Environmental Research,
Fusion Energy Sciences, High-Energy Physics and Nuclear Physics-to fully realize the
potential of the emerging petaascale computers at that time for advancing scientific discovery.
Researchers have achieved key scientific insights in a number of areas of national importance,
yet many challenges of multi-scale, multi-disciplinary problems now facing science programs in
DOE require advanced modeling and simulation capabilities on petascale computers. A second
challenge is driven by the need for capture, storage, transmission, sharing and analysis of
large-scale experimental and observational data as well as data from simulations. This Announcement
is seeking proposals that contribute to:
Synergistic collaborations are encouraged. Collaborative proposals involving multiple
institutions, that may include universities, laboratories, and/or private institutions, are anticipated
for the majority of submissions. Researchers may request a period of performance of up to five
(5) years.
DATES: Potential researchers are required to submit a one (1) to two (2) page Letter-of-Intent
by January 23, 2006 which includes the title of the proposed effort, the program area addressed,
the names of the principal investigator and all senior personnel, participating institutions,
organizational approach, projected funding request (if possible) and summary/abstract. For
multi-institution proposals, a single Letter-of-Intent should be submitted by the PI of the lead
institution. Letters of Intent will be reviewed for conformance with the guidelines presented
in this Notice and suitability in the technical areas specified in this Notice. A response to
the Letters of Intent encouraging or discouraging formal proposals will be communicated to
the researchers by January 30, 2006.
Full proposals submitted in response to this Annoucement must be submitted to the DOE
Electronic Proposals Management Applications (e PMA) system (
https://epma.doe.gov) no later than 8:00 pm, Eastern Time, March 6, 2006, to be accepted
for merit review and to permit timely consideration for award in Fiscal Year 2006. It is
important that the entire peer reviewable proposal be submitted to the ePMA system as a single
PDF file attachment.
Please see the "Addresses" section below for futher instructions on the methods of submission
for the full proposal.
ADDRESSES: Letters-of-Intent should be submitted electronically as an email attachment (not
pdf) to scidac-2_lab@mics.doe.gov. Please use the phrase "SciDAC Science Application-
PI_Lastname-Institution" or "SciDAC Enabling Technology-PI_Lastname-Institution" in the
subject line (where PI_Lastname is the surname of the lead PI and Institution is the lead
institution). A copy to the appropriate POC is also encouraged.
Peer-reviewable Field Work Proposals submitted to the Office of Science must be submitted
electronically as a pdf file by March 6, 2006 to be considered for award. The email submission
to scidac-2_lab@mics.doe.gov should use the phrase "SciDAC Science Application" or "SciDAC
Enabling Technology," as appropriate, in the subject line.
A complete formal FWP in a single Portable Document Format (PDF) file must be submitted
through the DOE ePMA system (
https://epma.doe.gov) as an attachment. To identify that the
FWP is responding to this program announcement, please fill in the following fields in the
"ePMA Create Proposal Admin Information" screen as shown:
FOR FURTHER INFORMATION CONTACT: Walt Polansky, Mary Anne Scott, or Dave
Goodwin, Office of Advanced Scientific Computing Research, Telephone (301) 903-5800;
e-mail:
SUPPLEMENTARY INFORMATION:
Background:
1. Scientific Discovery through Advanced Computing
Advanced scientific computing will be a key contributor to scientific research in the 21st
Century. Within the Office of Science (SC), scientific computing programs and facilities are
already essential to progress in many areas of research critical to the nation. Major scientific
challenges exist in all SC research programs that can best be addressed through advances in
scientific supercomputing, e.g., designing materials with selected properties, elucidating the
structure and function of proteins, understanding and controlling plasma turbulence, and
designing new particle accelerators. To help ensure its missions are met, SC is bringing together
advanced scientific computing and scientific research in an integrated program entitled
"Scientific Discovery Through Advanced Computing."
The Opportunity and the Challenge
During the past five years, the SciDAC program has clearly shown the benefits of teaming
computational scientists, computer scientists and applied mathematicians in tackling challenging
scientific problems. It has demonstrated that important scientific accomplishments are possible
through simulation and modeling with focused collaboration and active partnership of domain
scientists, applied mathematicians, and computer scientists. Successes have been documented in
such areas as accelerator design, chemistry, combustion, climate modeling, and fusion. The
program has also demonstrated that large scale simulation offers some of the most cost-effective
opportunities for answering a number of scientific questions in areas such as the fundamental
structure of matter and the production of heavy elements in supernovae.
Extraordinary advances in computing technology in the past decade have set the stage for a
major advance in scientific computing. Within the next five to ten years, computers 1,000 times
faster than today's terascale computers will become available. These advances herald a new era
in scientific computing. In FY 2004 DOE's Office of Science launched an aggressive program
to develop and deploy leadership-class computing facilities and announced a twenty-year
scientific facilities roadmap that will provide a rich scientific infrastructure for the next two
decades. A copy of the plan may be found at:
http://www.science.doe.gov/Sub/Facilities_for_future/20-Year-Outlook-screen.pdf.
To exploit this opportunity, these computing advances must be translated into corresponding
increases in the productivity of the scientific codes used to model physical, chemical, and
biological systems. This is a daunting problem. Current advances in computing and networking
technologies are being driven by market forces in the commercial sector, not by scientific
computing. Harnessing commercial computing technology for scientific research poses problems
unlike those encountered in previous supercomputers, in magnitude as well as in kind. A
comparable challenge applies to harnessing commercial network technology for the integration
of scientific applications through networks to achieve required end-to-end performance. Towards
the end of this decade new systems are expected to emerge which will offer new architectures for
scientific computation.
New advances in mathematics, algorithms, computer science, and an ever-changing array of new
computer architectures make the field of computational science one of continuing challenges.
The Investment Plan of the Office of Science
To take advantage of the opportunity offered by petascale computers, SC will fund a set of
coordinated investments as outlined in its long-range plan for scientific computing, Scientific
Discovery through Advanced Computing, (See Footnote Number 1) submitted to Congress on
March 30, 2000. First, it will create a Scientific Computing Software Infrastructure that bridges
the gap between the advanced computing technologies being developed by the computer industry
and the scientific research programs sponsored by the Office of Science. Specifically, SC plans
to:
The allocation of computing resources available to individual projects will be not be part of this
solicitation but will be contingent on review and award through the process as described at
http://hpc.science.doe.gov Within the available computational
resources, every effort will be made to ensure that successful proposals will have the resources
needed to support their efforts.
The systems that are part of the Hardware Infrastructure are embedded
in a networking environment for science, the Energy Sciences Network (ESnet), that delivers the end-to-end
capabilities needed to support scientific applications, and is evolving to a hybrid of packet
switched services and high bandwidth circuit switched services, perhaps directly over
wavelengths. It is anticipated that some proposals may need to negotiate services across
multiple, independent networks to achieve end-to-end performance.
The Benefits
The Scientific Computing Software Infrastructure, along with the upgrades to the hardware
infrastructure, will enable laboratory and university researchers to solve the most challenging
scientific problems faced by the Office of Science at a level of accuracy and detail never before
achieved. These developments will have significant benefit to all of the government agencies
who rely on high-performance scientific computing to achieve their mission goals as well as to
the U.S. high-performance computing industry.
Request for Proposals
This announcement requests proposals in the Science Application areas discussed in Section 2
and in the Enabling Technologies areas discussed in Section 3.
Successful researchers of Science Applications must devise a multi-disciplinary research strategy
that addresses both the domain science and computational science challenges facing their
simulation or data management issue.
Successful researchers of Enabling Technologies must ensure that source code is fully and freely
available for use and modification throughout the scientific computing community via a
preapproved open source process.
To ensure that the SciDAC program meets the broadest needs of the research community, the
successful applications are expected to participate in the annual SciDAC meeting, develop and
maintain a project web site, and interact with other program participants on cross-cutting issues.
It is anticipated that up to approximately $31,000,000 will be available for awards in FY 2006,
subject to the availability of funds. The DOE is under no obligation to pay for any costs
associated with the preparation or submission of a proposal. DOE reserves the right to fund,
in whole or in part, any, all, or none of the proposals submitted in response to this announcement.
The following two sections are offered to provide background in-depth information on areas that
are of interest to the Office of Science for 1) the scientific and technical applications for a
number of science domains of importance to the DOE mission and 2) the enabling technology
dimensions needed to achieve the SciDAC vision.
2. Science Applications
The SciDAC program is structured as a set of coordinated investments across all SC mission
areas with the goal of achieving breakthrough scientific advances via computer simulation that
are impossible using theoretical or laboratory studies alone. In addition, the use of advanced
computing technologies to accelerate scientific discovery is not limited to simulation-based
science. It can also be applied to improving experimental science. Over the five years of the
SciDAC program, researchers have achieved key scientific insights in a number of areas of
national importance, including fusion, combustion, climate modeling, high energy and nuclear
physics, and astrophysics. These advances have been accomplished through the development of
state-of-the-art-simulation codes. The results of these simulations, together with associated
theory and experiment, help ensure that the US maintains a leadership role in science and
technology.
The major source of acceleration in simulation-based science has been the strength and depth of
partnerships among application domains, computer science, and applied mathematics. Proposals
for research in the scientific domains must include a plan for partnerships that integrate
advanced applied mathematics and computer science technologies with the proposed domain-
specific efforts. In addition, the plan may request additional resources for closely related
computer science and applied mathematics research to ensure adequate integration. Work
proposed in computer science or applied mathematics should be clearly identified. Additional
information on the approach for partnerships is outlined in Section 3.
Challenges and opportunities remain in a number of scientific domains. Proposals are sought for
the following domains.
Accelerator Science and Simulation: A comprehensive, coherent petascale simulation
capability for the U.S. particle and nuclear accelerator community is critical for the near and
long-term priorities of DOE's Office of Science. High Energy Physics priorities are driven by
optimization needs of existing HEP accelerators such as the B-Factory and Tevatron, design of
possible future accelerators such as ILC other next-generation facilities, and maintaining a vital
DOE accelerator R&D program. Near-term Nuclear Physics facility priorities are the Rare
Isotope Accelerator (RIA) and the Continuous Electron Beam Accelerator Facility (CEBAF)
Upgrade. In the longer term the Office of Nuclear Physics will explore the development of an
electron-nucleus collider that would allow the gluon saturation of nuclear matter to be seen.
Topic areas for modeling needs therefore include: high-accuracy computation of modes for
superconducting RF cavities; realistic simulation of wakefield effects; parallelization of Radio
Frequency Quadrapole (RFQ) simulations; self-consistent 3D calculations of Coherent
Synchrotron Radiation; (CSR) forces and their effects on the beam; electron cooling of heavy-
ion beams; optimization of Particle In Cell (PIC) codes; and adaptive mesh techniques for
intense beams. Accelerator simulation codes which run on a variety of platforms, scale to
petaflops and many thousands of processors, which are robust, documented, and can be easily
used by accelerator researchers at all DOE HEP and NP facilities, and are well integrated with
visualization capacities will have the greatest impact on the field.
BES POC: Roger Klaffky, (301)-903-1873, Roger.Klaffky@science.doe.gov
HEP POC: Craig Tull, (301)-903-0468 Craig.Tull@science.doe.gov
NP POC: Sidney A. Coon, (301)-903-7878 Sidney.A.Coon@science.doe.gov
Astrophysics: Computational astrophysics encompasses many research areas of interest and
relevance to high-energy physics, nuclear physics, and Advanced Simulation and Computing.
SciDAC proposals for work in astrophysical and cosmological simulations are invited and will
be judged in part based on their relevance to these program missions. While some examples of
topical research areas are given below, successful SciDAC proposals need not be limited to these
areas.
Modeling of explosive astrophysical events, including Type Ia supernovae, gamma-ray bursts,
X-ray bursts and core collapse supernovae is needed, not only for the quantitative understanding
of the mechanics of supernovae, but also because all of these type of events produce unique
nucleosynthesis products responsible for nearly all of the elements in the solar system and in
living creatures. In addition, detailed simulations of these objects, in conjunction with
astrophysical data, can shed new light on the physics of particle interactions and the properties of
fundamental particles.
In particular, Type Ia supernovae are significant scientifically because of their use as standard
candles in determining the expansion rate of the universe for measurements of dark energy, a
technique which can be improved by a quantitative understanding of the transition from white
dwarf stars to supernovae. Simulations of other types of supernovae and astrophysical objects
also need to be performed to determine whether they can be used as standard candles, and what
systematic variations limit their utility. A detailed simulation of core collapse supernovae brings
together nuclear physics including neutrino physics, fluid dynamics, radiation transport of
neutrinos, and general relativity and successful simulations could advance knowledge of
nucleosynthesis and the properties of fundamental particles.
Unknown particles and forces (so-called dark matter and dark energy) make up 95% of the
universe. DOE and NASA have both identified dark energy as a priority in their science
programs. The two agencies have laid out a plan for a space-based, competed Joint Dark Energy
Mission (JDEM) to determine the nature of dark energy. In addition, DOE supports several
current experiments which are aimed at directly detecting cosmic dark matter or producing it in
high-energy collisions. Computational techniques which couple 2- and 3-dimensional
simulations of complex astrophysical phenomena and structures with ground and space-based
observations of dark matter and dark energy will be necessary to shed light on the properties of
these unknown agents and perhaps interpret possible discoveries.
Other topics of interest include, but are not limited to: simulations of celestial objects, such as
gamma ray bursts, to study the astrophysical acceleration mechanisms that produce the highest
energy cosmic rays; simulations of dynamical processes which can explain and predict the
intergalactic magnetic fields which affect the propagation of these particles; cosmic microwave
background (CMB) simulations required to understand the CMB data from the very early
universe; and simulations which can predict the imprint of gravitational waves on the CMB to
directly see inflation in the early universe.
HEP POC: Craig Tull, (301)-903-0468 Craig.Tull@science.doe.gov
NP POC: Sidney A. Coon, (301)-903-7878 Sidney.A.Coon@science.doe.gov
Climate Modeling and Simulation: SciDAC climate modeling applications program continues
to lead the evolution of DOE's long-standing climate modeling and simulation research agenda.
The SciDAC program focused on developing, testing and applying climate simulation and
prediction models that stay at the leading edge of scientific knowledge and computational
technology, is tightly integrated with the goals of the Climate Change Prediction Program(CCPP;
http://www.science.doe.gov/ober/CCRD/model.html) to advance climate change science and
improve climate change projections using state-of-the-science coupled climate models, on time
scales of decades to centuries and space scales of regional to global.
DOE is currently funding the testing, development, evaluation of high-end climate models and
their use to answer strategic questions related to DOE's mission. Thus, the high priority areas are
accelerating improved representation of key processes in the current version of high-end climate
models; accelerating development of frameworks that will test the above representations in the
fully coupled system; and running the fully coupled climate model efficiently on high-
performance scientific supercomputers that are either available for DOE researchers, or being
envisaged under the Leadership Computing Facility at ORNL.
Themes in this call include:
2. Development and testing of approaches to advance global carbon cycle models and to
couple the physical climate system with the global carbon cycle. The purpose of adding
the carbon cycle is to progress beyond the specification of atmospheric carbon dioxide
concentrations - such as e.g. in the ongoing Intergovernmental Panel for Climate Change
Fourth Assessment (IPCC AR4) - to the specification of actual anthropogenic emissions,
and modeling the fate of emissions through feedbacks between the carbon cycle and the
climate. A fully coupled carbon-climate model is an essential tool that would help answer
strategic questions related to DOE's climate change research mission objectives
(
http://www.science.doe.gov/ober/CCRD_top.html).
3. Effort aimed at computational performance and adaptation to new computer architectures
of climate models; improved formulations and algorithms for all component models; and
coupled model integration, testing and evaluation. As the science advances and new
knowledge is gained, there is a demand to include more process representations into the
models and to improve acknowledged shortcomings in existing process descriptions.
This demand is likely to overwhelm even the most optimistic projections of computer
power increases. Accordingly, there is a need to evaluate the costs, benefits and trade-
offs required to allocate scarce computer and human resources to determine which
improvements to include in the next generation of climate models. The intent is to
increase dramatically the throughput of computer model-based predictions of future
climate system response to the increased atmospheric concentrations of greenhouse
gases.
BER POC: Anjuli Bamzai, (301) 903 0294 anjuli.bamzai@science.doe.gov
Computational Biology: GTL encompasses many types of data, each with algorithm research
and development challenges in analyzing data for a broad range of purposes. Examples of
objectives include:
BER POC: John Houghton (301) 903 8288 John.Houghton@science.doe.gov
Fusion Science: Improved simulation and modeling of fusion systems is essential for achieving
the predictive scientific understanding needed to make fusion energy practical. The success of
the ITER project strongly depends on the development of such validated predictive capability.
Current large scale simulations in fusion plasma science include integrated modeling of
electromagnetic wave interactions with plasmas described in the MHD approximation as well as
work on understanding the plasma edge. Efforts are also underway in modeling plasma
turbulence and macroscopic stability using two-fluid or extended MHD models.
Integrated simulation of magnetic fusion systems involves the simultaneous modeling of the core
and edge plasma regions, as well as the interaction of the plasma with material surfaces. In each
of these plasma regions, there is transport of heat, particles and momentum driven by plasma
turbulence, abrupt rearrangements of the plasma caused by large-scale instabilities, and
interactions with neutral atoms and electromagnetic waves. Many of these processes must be
computed on short time and spatial scales, while the predictions of integrated modeling are
needed for the entire device on longer time scales. This mix of physical complexity and widely
differing spatial and temporal scales in integrated modeling, results in a unique computational
challenge.
In addition, the further development of collaborative technologies is critical to the success of the
Fusion Energy Sciences program. Such fusion collaboratories will be essential to fully exploit
present and future facilities, especially since the international fusion community is moving
toward fewer and larger machines, such as ITER, and large scale integrated simulations.
Proposals to be funded under this announcement should focus on:
Groundwater Reactive Transport Modeling and Simulation: Scientifically rigorous models
of subsurface reactive transport that accurately simulate contaminant mobility across multiple
length scales remain elusive. The Department of Energy has long-term clean-up and
management responsibility for its Cold War era production facilities, and the responsibility for
monitoring the behavior of contaminants in ground waters around existing and future waste
disposal and storage areas. Conceptual model development and computer simulation of
contaminant transport are important elements of the decision-making process for environmental
remediation and monitoring. Innovative, new approaches to performing multi-physics, multi-
phase, multi-component, multi-dimensional subsurface reactive flow and transport simulations
that take advantage of high performance, leadership class computing capabilities are sought.
Specific areas of potential interest include:
BER POC: Robert T. Anderson, (301) 903 5549 Todd.Anderson@science.doe.gov
High-Energy Physics: SciDAC supports cross-disciplinary research into cutting-edge problems
in scientific computing. As pioneers in the computing sciences since their inception, HEP
researchers are fully committed to continuing to advance the state of the art of scientific
computing and applying the most modern techniques and tools to our work.
The HEP mission has three research thrusts The Energy Frontier (i.e. testing and refining our
understanding of the standard model), The Dark Universe (i.e. investigating the nature of dark
energy, dark matter, and the origins of the cosmos), and Neutrinos (i.e. measuring the properties
and behavior of this unique family of particles). Each of these domains face different
computational and data management challenges, many of which are ideally suited to the SciDAC
program of work.
To fully realize our scientific goals and make the most effective use of the large facilities and
collaborations which characterize the current generation of HEP research, we will need
simulation, data management, and data analysis and visualization applications which run on a
wide variety of computer architectures, from commodity clusters to specialized machines to
supercomputers and which are easily accessible to researchers at small universities as well as
large national laboratories.
HEP POC: Craig Tull, (301)-903-0468 Craig.Tull@science.doe.gov
High Energy and Nuclear Physics with Petabytes: High energy physics and nuclear physics
experiments stand at the threshold of revolutionary challenges and opportunities. Experiments at
colliding beams and the next generation of fixed targets are key to the advancing the
understanding of the physics or the universe on the smallest length and time scales, and at the
level at which the fundamental particles transition into matter.
With the next generation of physics accelerators and detectors, instruments with an analog data
rate of a petabyte a second will yield petabytes per year after data selection and compression.
Even with this high degree of selectivity, revolutionary new approaches to data management and
data analysis are needed to allow scientific intuition and intellect deal with the daunting volume
of data. This notice seeks proposals that address the data intensive research challenges of high
energy physics and nuclear physics, including the production environment for distributed data-
intensive science, and provide innovative approaches to data analysis environments characterized
by having tens to hundreds of scientists simultaneously accessing refined datasets of tens of
terabytes.
HEP POC: Craig Tull, (301)-903-0468 Craig.Tull@science.doe.gov
NP POC: Sidney A. Coon, (301)-903-7878 Sidney.A.Coon@science.doe.gov
Nuclear Physics: Increased computational resources, algorithmic development and a coherent
petascale effort spanning all of nuclear structure and reactions are important for the advancement
of nuclear physics, including nuclear astrophysics, neutrino physics and fundamental
symmetries. Nuclear reactions play an essential role in the science to be investigated at the Rare
Isotope Accelerator (RIA) and in nuclear physics applications to the Science-Based Stockpile
Stewardship (SBSS) program and other DOE mission needs such as energy research and threat
reduction. Future theory progress on the equation of state of the quark-gluon plasma and the
evaluation of the dynamics of the reaction observed at the Relativistic Heavy Ion Collider
(RHIC) can be advanced through significant increase of the computational and algorithmic
development needed to solve relativistic radiative transport and covariant second order
dissipative hydrodynamics equations on this terascale level.
NP POC: Sidney A. Coon, (301)-903-7878 Sidney.A.Coon@science.doe.gov
Quantum Chromodynamics (QCD): The goal of the SciDAC program in QCD is to create
opportunities for major scientific advances through highly accurate simulations of the lattice
gauge theory. The physics issues to be addressed include calculations of matrix elements needed
for precise tests of the standard model, determination of the properties of strongly interacting
matter under extreme conditions of temperature and density, the internal structure of nucleons
and other strongly interacting particles, and QCD calculations of hard-to-measure baryon-baryon
interactions needed for low energy nuclear and hypernuclear physics. Major improvements in
lattice calculations will be driven by improvements in computer hardware, software
environments, algorithms, and theoretical formulations of QCD. As well, the regular structure of
lattice calculations has made them amenable to efficient execution on specially designed
computers whose design echoes that regularity. The enormous amount of computation needed to
achieve meaningful physics results has made the cost effectiveness of such computers a
necessity.
A major accomplishment of the SciDAC 1 QCD program was the development of a unified
programming environment that has enabled the U.S. lattice gauge community to achieve high
efficiency on a wide variety of terascale computers. The platform exploits the special features of
QCD calculations which made them particularly well suited to massively parallel computers.
This interface now underpins QCD calculations on MPP machines such as Seaborg at NERSC,
specialized machines such as the QCDOC at BNL, and the commodity clusters being built at
FNAL and JLab. The software infrastructure includes tools to archive and retrieve files annotated
with XML metadata consistent with the newly created International Lattice Data Grid.
There are many possible directions for further progress. One immediate need, to advance these
important calculations in High Energy and Nuclear Physics, is adapting the current simulation
environment to additional hardware architectures, such as cluster computers based on multi-core
chips or the IBM Blue Gene/L. Another is enhancing the simulation environment both to
execute the best existing codes with higher performance and to facilitate the rapid development
and evaluation of new algorithms and methods.
The data sets generated by realistic lattice simulations are large enough so that new software
tools are needed to manage them and access to them to ensure that their physics potential is most
effectively exploited. As well, new tools are needed to visualize the increasingly complex data
analyses being applied to the results of these calculations.
HEP POC: Craig Tull, (301)-903-0468 Craig.Tull@science.doe.gov
NP POC: Sidney A. Coon, (301)-903-7878 Sidney.A.Coon@science.doe.gov
3. Enabling Computational Technologies
The key to the success of the SciDAC program has been the power of multidisciplinary teams
that bring together experts in the scientific discipline, computer science, and applied
mathematics. Multidisciplinary teams have achieved progress that could not have been made in
any other way. It is increasingly hard for a small team of experts in a single area to develop a
state-of-the-art simulation code that uses the latest mathematical algorithms and runs effectively
on today's complex computer architectures. Successes to-date have relied on new infrastructure
in applied mathematics, computer science, and distributed computing technology.
This program element has several dimensions. It must provide the following:
The framework for accomplishing these objectives includes, but is not limited to, Centers for
Enabling Technologies (CET), Science Institutes, and Partnerships. Centers for Enabling
Technologies are large teams centered around developing software infrastructure with a specific
focus such as performance analysis or advanced tools for differential equations. SciDAC
Institutes are university-led and are complementary to the CETs, addressing additional
dimensions as discussed below. For example, there could be an Institute centered around large
scale optimization for engineering problems. Finally, Partnerships provide support to integrate
computational science with discipline-driven applications. Proposals to this notice can request
funding for any one of these three elements, however, requests for Partnerships must be included
with requests for support under science domain topics.
Centers for Enabling Technologies: Centers for Enabling Technologies (CET) address the
Mathematical and Computing Systems Software Environment element of the SciDAC Scientific
Computing Software Infrastructure. This infrastructure envisions a comprehensive, integrated,
scalable, and robust high performance software environment, which overcomes difficult
technical challenges to enable the effective use of terascale and petascale systems by SciDAC
applications. CETs address needs for: new algorithms which scale to parallel systems having
hundreds-of-thousands of processors; methodology for achieving portability and interoperability
of complex high performance scientific software packages; operating systems and runtime tools
and support for application execution performance and system management; and effective tools
for feature identification, data management and visualization of petabyte-scale scientific data
sets.
CETs also address the Distributed Science Software Environment element of the SciDAC
Scientific Computing Software Infrastructure. This infrastructure recognizes the use of advanced
computing technologies to improve experimental science as well as accelerate scientific
discovery through modeling and simulation. This can be accomplished through the development
and application of advanced data and analysis capabilities, computation in support of experiment,
and technologies for the automation of experiments.
CETs provide the essential computing and communications infrastructure for support of SciDAC
applications. The CET effort encompasses a multi-discipline approach with activities in:
SciDAC Institutes: Science and engineering are critically dependent on the existence of robust
and reliable high-performance computing applications codes. These application codes are in turn
critically dependent on the algorithms and software developed by the high-performance
computer science community. The SciDAC Institutes are university-led centers of excellence
intended to complement the efforts of the Centers for Enabling Technologies as well as centers
formed under-specific science domains. This will be achieved by focusing on major software
issues through a range of collaborative research interactions. Proposals are sought on software
methods or techniques that are important to a number of specific science problems.
Characteristics of a SciDAC Institute are that it may
Proposals should describe the organizational model which might be 1) part of a university, 2) a
separate organization, like a non-profit corporation, or 3) a university-led distributed center
involving multiple institutions, that may include other universities, industry, non-profit
organizations, federal laboratories and Federally Funded Research and Development Centers
(FFRDCs), which include the DOE National Laboratories.
Partnerships: The major source of progress in simulation-based science depends upon the
strength and depth of partnerships among application domains, computer science, and applied
mathematics. Scientific Application Partnerships offers support for this type of multidisciplinary
interaction.
Science Application Partnerships (SAP or Partnerships) are a broad activity of the Office of
Advanced Scientific Computing Research (ASCR) formed when applied mathematics and
computer science research can significantly enhance a targeted science area of importance to SC.
Funding for these Partnerships is shared between ASCR and the other SC offices along with
oversight responsibilities. Thus SAP projects must have components relevant to each office that
is involved. This SciDAC program element seeks to fund activities that form a partnership
between computational mathematics and computer science with a science domain.
Thus proposals submitted under Section 2. Science Applications may identify specific, targeted
activities to be considered for funding as Scientific Application Partnerships. The SAP projects
are to be managed by a single lead PI and institution and should identify the other investigators
as "Application Science (S)", "Applied Mathematics (M)" or "Computer Science (CS)". It is
envisioned that SAP projects will demonstrate a balance between S and M/CS personnel.
The key elements and characteristics expected for science applications projects are:
ASCR POCs: Anil Deane (301) 903-1465 deane@mics.doe.gov; Thomas Ndousse (301) 903-
9960 tndousse@er.doe.gov; Fred Johnson (301) 903-3601 fjohnson@er.doe.gov; Gary Johnson
(301) 903-4361 garyj@er.doe.gov; Mary Anne Scott (301) 903-6368 scott@er.doe.gov; Yukiko
Sekine (301) 903-5997 yukiko.sekine@science.doe.gov
Collaborative Proposals
It is expected that the majority of proposals submitted in response to this notice will be for
scientific simulation teams involving more than one institution. Other institutions may be
universities, industry, non-profit organizations, federal laboratories and Federally Funded
Research and Development Centers (FFRDCs), which include the DOE National Laboratories.
Collaborative proposals focused on a single research activity submitted in response to this notice
(i.e. proposals involving more than one institution) should be submitted as described below:
Program Funding
It is anticipated that in Fiscal Year 2006 SciDAC partners will have up to approximately
$31,000,000 available to support new SciDAC projects. The number of awards will be
determined by the number of excellent proposals, the total funds available for this program and
the availability of appropriated funds. These funds provided by participating offices may be up
to the following: ASCR, $20,000,000; BER, $6,000,000; FES, $1,000,000; NP, $1,000,000; and
HEP, $5,000,000.
Awards are anticipated to fall in four categories-Science Applications, Centers for Enabling
Technologies, Institutes, and Scientific Application Partnerships (Note: The funding ranges
provided below are for guidance only. Meritorious proposals requesting funding outside the
suggested range will receive full consideration). Science Applications may be funded from
$200,000 up to $800,000 per year for two to five years. Most of these are expected to be teams
with two or more institutions participating, each receiving from $50,000 up to $300,000 per year.
Centers for Enabling Technologies are expected to be large distributed teams and may be funded
at $1,500,000 to $3,000,000 per year for up to five years. Science Institutes are expected to be
funded at $1,000,000 to $2,500,000 per year for up to five years. In both cases, participating
institutions may be funded at from $50,000 to $300,000 per year. Scientific Application
Partnerships are expected to be funded at $50,000 to $500,000 per year for one to three years.
These funding levels are provided as guidance.
Merit Review
After an initial screening for eligibility and responsiveness to the solicitation, proposals will be
subjected to scientific merit review (peer review) and will be evaluated against the following
evaluation criteria, which are listed in descending order of importance:
External peer reviewers are selected with regard to both their scientific expertise and the absence
of conflict-of-interest issues. Non-federal reviewers will often be used, and submission of an
proopsal constitutes agreement that this is acceptable to the investigator(s) and the submitting
institution. Reviewers will be selected to represent expertise in the science and technology areas
proposed, applications groups that are potential users of the technology, and related programs in
other Federal Agencies or parts of DOE.
The instructions and format described below should be followed. Reference Program
Announcement LAB 06-04 on all submissions and inquiries about this program.
GUIDE FOR PREPARATION OF SCIENTIFIC/TECHNICAL PROPOSALS TO BE SUBMITTED BY NATIONAL LABORATORIES Proposals from National Laboratories submitted to the Office of Science (SC) as a result of this program announcement will follow the Department of Energy Field Work Proposal process with additional information requested to allow for scientific/technical merit review. The following guidelines for content and format are intended to facilitate an understanding of the requirements necessary for SC to conduct a merit review of a proposal. Please follow the guidelines carefully, as deviations could be cause for declination of a proposal without merit review. 1. Evaluation Criteria Proposals will be subjected to formal merit review (peer review) and will be evaluated against the following criteria which are listed in descending order of importance:
Appropriateness of the proposed method or approach; Competency of the personnel and adequacy of the proposed resources; and Reasonableness and appropriateness of the proposed budget.
b) The demonstrated capabilities of the researchers to perform basic research and transform these research results into software that can be widely deployed; c) Knowledge of and coupling to previous efforts in scientific simulation; d) For enabling technology applications, the likelihood that the algorithms, methods, mathematical libraries, and software components that result from this effort will have impact on or is extensible to science disciplines outside of the SciDAC applications projects; e) Identification and approach to software integration and long term support issues, including component technology, documentation, test cases, tutorials, end user training, and quality maintenance and evolution; and f) Extent to which the proposal incorporates broad community (industry/academia/other federal programs) interaction;
b) Quality and clarity of the proposed work schedule and deliverables; c) Quality of the proposed approach to intellectual property management and open source licensing; d) Quality of the plan for effective collaboration among participants; and e) Quality of the plan for ensuring communication with other advanced computation and simulation efforts or enabling technology efforts. 2. Summary of Proposal Contents
2.1 Number of Copies to Submit A complete formal FWP in a single Portable Document Format (PDF) file must be submitted through the DOE ePMA system (https://epma.doe.gov) as an attachment. To identify that the FWP is responding to this program announcement, please fill in the following fields in the "ePMA Create Proposal Admin Information" screen as shown:
Fiscal Year: Proposal Reason: Program Announcement Number: Lab 06-04 * Program announcement Title: Scientific Discovery through Advanced Computing * Proposal Purpose: Estimated Proposal Begin Date: HQ Program Manager Organization: A completed formal FWP in a single Portable Document Format (PDF) file referencing Program Announcement LAB 06-04 must be submitted via email to scidac-2_lab@mics.doe.gov. 3. Detailed Contents of the Proposal Proposals must be readily legible, when photocopied, and must conform to the following three requirements: the height of the letters must be no smaller than 10 point with at least 2 points of spacing between lines (leading); the type density must average no more than 17 characters per inch; the margins must be at least one-half inch on all sides. Figures, charts, tables, figure legends, etc., may include type smaller than these requirements so long as they are still fully legible. 3.1 Field Work Proposal Format (Reference DOE Order 5700.7C) (DOE ONLY) The Field Work Proposal (FWP) is to be prepared and submitted consistent with policies of the investigator's laboratory and the local DOE Operations Office. Additional information is also requested to allow for scientific/technical merit review. Laboratories may submit proposals directly to the SC Program office listed above. A copy should also be provided to the appropriate DOE operations office. 3.2 Proposal Cover Page The following proposal cover page information may be placed on plain paper. No form is required.
SC Program announcement title Name of laboratory Name of principal investigator (PI) Position title of PI Mailing address of PI Telephone of PI Fax number of PI Electronic mail address of PI Name of official signing for laboratory* Title of official Fax number of official Telephone of official Electronic mail address of official Requested funding for each year; total request Use of human subjects in proposed project:
Signature of official, date of signature* *The signature certifies that personnel and facilities are available as stated in the proposal, if the project is funded. Provide the initial page number for each of the sections of the proposal. Number pages consecutively at the bottom of each page throughout the proposal. Start each major section at the top of a new page. Do not use unnumbered pages and do not use suffixes, such as 5a, 5b. 3.4 Abstract Provide an abstract of no more than 250 words. Give the broad, long-term objectives and what the specific research proposed is intended to accomplish. State the hypotheses to be tested. Indicate how the proposed research addresses the SC scientific/technical area specifically described in this announcement. 3.5 Narrative The narrative comprises the research plan for the project and is limited to 5 pages per task. It should contain the following subsections: Background and Significance: Briefly sketch the background leading to the present proposal, critically evaluate existing knowledge, and specifically identify the gaps which the project is intended to fill. State concisely the importance of the research described in the proposal. Explain the relevance of the project to the research needs identified by the Office of Science. Include references to relevant published literature, both to work of the investigators and to work done by other researchers. Preliminary Studies: Use this section to provide an account of any preliminary studies that may be pertinent to the proposal. Include any other information that will help to establish the experience and competence of the investigators to pursue the proposed project. References to appropriate publications and manuscripts submitted or accepted for publication may be included. Research Design and Methods: Describe the research design and the procedures to be used to accomplish the specific aims of the project. Describe new techniques and methodologies and explain the advantages over existing techniques and methodologies. As part of this section, provide a tentative sequence or timetable for the project. Subcontract or Consortium Arrangements: If any portion of the project described under "Research Design and Methods" is to be done in collaboration with another institution, provide information on the institution and why it is to do the specific component of the project. Further information on any such arrangements is to be given in the sections "Budget and Budget Explanation", "Biographical Sketches", and "Description of Facilities and Resources". 3.6 Literature Cited List all references cited in the narrative. Limit citations to current literature relevant to the proposed research. Information about each reference should be sufficient for it to be located by a reviewer of the proposal. 3.7 Budget and Budget Explanation A detailed budget is required for the entire project period, which normally will be three years, and for each fiscal year. It is preferred that DOE's budget page, Form 4620.1 be used for providing budget information*. Modifications of categories are permissible to comply with institutional practices, for example with regard to overhead costs. A written justification of each budget item is to follow the budget pages. For personnel this should take the form of a one-sentence statement of the role of the person in the project. Provide a detailed justification of the need for each item of permanent equipment. Explain each of the other direct costs in sufficient detail for reviewers to be able to judge the appropriateness of the amount requested. Further instructions regarding the budget are given in section 4 of this guide. * Form 4620.1 is available at web site: http://www.science.doe.gov/grants/Forms-E.html. 3.8 Other Support of Investigators Other support is defined as all financial resources, whether Federal, non-Federal, commercial or institutional, available in direct support of an individual's research endeavors. Information on active and pending other support is required for all senior personnel, including investigators at collaborating institutions to be funded by a subcontract. For each item of other support, give the organization or agency, inclusive dates of the project or proposed project, annual funding, and level of effort devoted to the project. 3.9 Biographical Sketches This information is required for senior personnel at the institution submitting the proposal and at all subcontracting institutions (if any). The biographical sketch is limited to a maximum of two pages for each investigator. 3.10 Description of Facilities and Resources Describe briefly the facilities to be used for the conduct of the proposed research. Indicate the performance sites and describe pertinent capabilities, including support facilities (such as machine shops) that will be used during the project. List the most important equipment items already available for the project and their pertinent capabilities. Include this information for each subcontracting institution, if any. 3.11 Appendix Include collated sets of all appendix materials with each copy of the proposal. Do not use the appendix to circumvent the page limitations of the proposal. Information should be included that may not be easily accessible to a reviewer. Reviewers are not required to consider information in the Appendix, only that in the body of the proposal. Reviewers may not have time to read extensive appendix materials with the same care as they will read the proposal proper. The appendix may contain the following items: up to five publications, manuscripts (accepted for publication), abstracts, patents, or other printed materials directly relevant to this project, but not generally available to the scientific community; and letters from investigators at other institutions stating their agreement to participate in the project (do not include letters of endorsement of the project).
4. Detailed Instructions for the Budget 4.1 Salaries and Wages List the names of the principal investigator and other key personnel and the estimated number of person-months for which DOE funding is requested. Proposers should list the number of postdoctoral associates and other professional positions included in the proposal and indicate the number of full-time-equivalent (FTE) person-months and rate of pay (hourly, monthly or annually). For graduate and undergraduate students and all other personnel categories such as secretarial, clerical, technical, etc., show the total number of people needed in each job title and total salaries needed. Salaries requested must be consistent with the institution's regular practices. The budget explanation should define concisely the role of each position in the overall project. 4.2 Equipment DOE defines equipment as "an item of tangible personal property that has a useful life of more than two years and an acquisition cost of $25,000 or more." Special purpose equipment means equipment which is used only for research, scientific or other technical activities. Items of needed equipment should be individually listed by description and estimated cost, including tax, and adequately justified. Allowable items ordinarily will be limited to scientific equipment that is not already available for the conduct of the work. General purpose office equipment normally will not be considered eligible for support. 4.3 Domestic Travel The type and extent of travel and its relation to the research should be specified. Funds may be requested for attendance at meetings and conferences, other travel associated with the work and subsistence. In order to qualify for support, attendance at meetings or conferences must enhance the investigator's capability to perform the research, plan extensions of it, or disseminate its results. Consultant's travel costs also may be requested. 4.4 Foreign Travel Foreign travel is any travel outside Canada and the United States and its territories and possessions. Foreign travel may be approved only if it is directly related to project objectives. 4.5 Other Direct Costs The budget should itemize other anticipated direct costs not included under the headings above, including materials and supplies, publication costs, computer services, and consultant services (which are discussed below). Other examples are: aircraft rental, space rental at research establishments away from the institution, minor building alterations, service charges, and fabrication of equipment or systems not available off- the-shelf. Reference books and periodicals may be charged to the project only if they are specifically related to the research. a. Materials and Supplies The budget should indicate in general terms the type of required expendable materials and supplies with their estimated costs. The breakdown should be more detailed when the cost is substantial. b. Publication Costs/Page Charges The budget may request funds for the costs of preparing and publishing the results of research, including costs of reports, reprints page charges, or other journal costs (except costs for prior or early publication), and necessary illustrations. c. Consultant Services Anticipated consultant services should be justified and information furnished on each individual's expertise, primary organizational affiliation, daily compensation rate and number of days expected service. Consultant's travel costs should be listed separately under travel in the budget. d. Computer Services The cost of computer services, including computer-based retrieval of scientific and technical information, may be requested. A justification based on the established computer service rates should be included. e. Subcontracts Subcontracts should be listed so that they can be properly evaluated. There should be an anticipated cost and an explanation of that cost for each subcontract. The total amount of each subcontract should also appear as a budget item. 4.6 Indirect Costs Explain the basis for each overhead and indirect cost. Include the current rates.
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