Large simulation codes can take on the order of hours to compile from scratch. In Kull, which uses generic programming techniques, a significant portion of the time is spent generating and compiling template instantiations. I would like to investigate methods that would decrease the overall compilation time for large codes. These would be methods which could then be applied, hopefully, as standard practice to any large code. Success is measured by the overall decrease in wall clock time a developer spends waiting for an executable. Analyzing the make system of a slow to build project can benefit all developers on the project. Taking the time to analyze the number of processors used over the life of the build and restructuring the system to maximize the parallelization can significantly reduce build times. Distributing the build across multiple machines with the same configuration can increase the number of available processors for building and can help evenly balance the load. Becoming familiar with compiler options can have its benefits as well. The time improvements of the sum can be significant. Initial compilation time for Kull on OSF1 was {approx} 3 hours. Final time on OSF1 after completion is 16 minutes. Initial compilation time …

We were funded by ASR to use data collected during ISDAC and TWP-ICE to evaluate models with a variety of temporal and spatial scales, to evaluate ground-based remote sensing retrievals and to develop cloud parameterizations with the end goal of improving the modeling of cloud processes and properties and their impact on atmospheric radiation. In particular, we proposed to: 1) Calculate distributions of microphysical properties observed in arctic stratus during ISDAC for initializing and evaluating LES and GCMs, and for developing parameterizations of effective particle sizes, mean fall velocities, and mean single-scattering properties for such models; 2) Improve representations of particle sizes, fall velocities and scattering properties for tropical and arctic cirrus using TWP-ICE, ISDAC and M-PACE data, and to determine the contributions that small ice crystals, with maximum dimensions D less than 50 μm, make to mass and radiative properties; 3) Study fundamental interactions between clouds and radiation by improving representations of small quasi-spherical particles and their scattering properties. We were additionally funded 1-year by ASR to use RACORO data to develop an integrated product of cloud microphysical properties. We accomplished all of our goals.

To test experimentally, the prior theoretical deduction that active-site residue Lys166 of ribulose-bisphosphate carboxylase participates in the carboxylation step of overall catalysis, site-directed mutants and chemically rescued site-directed mutants were characterized by kinetics and product analysis. Although position-166 mutants are able to catalyze normal enolization of ribulose bisphosphate, the enediol intermediate does not undergo carboxylation but rather eliminates phosphate. Furthermore, the chemically rescued mutant (aminoethylation of the severely impaired Lys66Cys mutant) generates a highly active mimic, which displays an enhanced carboxylation/oxygenation partition ratio. These two distinct lines of experimentation document a crucial role of Lys166 in carboxylation and in discrimination between CO{sub 2} and O{sub 2}. To ascertain whether Lys166 functions as an acid or base in facilitation of enolization, the chemically rescued mutant bearing {sup 15}N was titrated by NM R. From pH 6.5-9.5, the amino group of Lys166 remains unprotonated, indicating that it promotes enolization by hydrogen bonding to the ketone group of the substrate.

Our component of this project focuses on the reaction of contaminant-containing fluids with carbonate mineral surfaces in order to better understand the dissolution-growth and related solid-solution processes that ultimately affect contaminant mobility in settings containing carbonates or carbonate grain coatings. Our collaborators (Stanford, PNNL) have focused on other aspects of carbonate and carbonate mineral surfaces as part of the overall project. Because some of the sediments through which contaminants leaking from the Hanford waste have carbonate grain coatings; better understanding the chemistry of carbonate-contaminant interaction constitutes fundamental chemistry needed in order to construct better models of contaminant transport through carbonate-containing sediments.

The Fermilab computing farms grew substantially in 2001 and 2002. This reflected primarily the CDF and D0 computing demand increase as run 2 began and the two detectors and the accelerator performed steadily better, leading to more data and a greater demand for reconstruction computing. In addition, the ''fixed-target'' farms evolved away from the old model of direct tape input and output to a system that uses Enstore and dcache (network-based) as the I/O mechanism. This was part of a more general trend away from a large server used for all of the I/O and many common services and many workers to a model with many smaller systems serving as I/O systems with distributed disk storage. Other major technological achievements include the use of dfarm, a disk caching mechanism, throughout the farms, the upgrades of FBSNG, NGOP for monitoring the farms systems, and generally a more sophisticated management of the machines that constitute these farms. The growth in systems was quite substantial, from a total of 314 dual PCs in early 2001 to 649 duals in early 2003. This does not include the farms that were purchased for CDF and D0 analysis--the CAF and the CAB, nor does it include …

Our Phase II research evaluated health risks associated with inhaled plutonium. Our research objectives were to: (1) extend our stochastic model for deposition of plutonium in the respiratory tract to include additional key variability and uncertainty; (2) generate and analyze risk distributions for deterministic effects in the lung from inhaled plutonium that reflect risk model uncertainty; (3) acquire an improved understanding of key physiological effects of inhaled plutonium, based on evaluations of clinical data (e.g., hematological, respiratory function, chromosomal aberrations in lymphocytes) for Mayak workers in Russia who inhaled plutonium-239; (4) develop biological dosimetry for plutonium-239 that was inhaled by some Mayak workers (with unknown intake) based on clinical data for other workers with known plutonium-239 intake; (5) critically evaluate the validity of the linear no-threshold (LNT) risk model as it relates to cancer risks from inhaled plutonium-239 (base d on Mayak worker data); and (6) evaluate respirator filter penetration frequencies for airborne plutonium aerosols using surrogate high-density metals.

Engineering design, resource allocation, military operations, and investment strategies share a major common trait, which is, to a large extent, independent of their different origins, specific features, and intended goals. The unifying trait is the fact that, in any of these endeavors, one has to make reasonable choices, at multiple levels of decision making, among various possible and sometimes competing prospective solutions to an important and consequential practical problem. While the specifics of the problem depend on application, context, additional constraints, etc., the ultimate--albeit imprecise--goal in all these activities is to ''optimize performance,'' which is to have maximal success/profit/return with minimal time/effort/investment. In general, the underlying system is ruled by complex and often unknown dynamics, and affected by various uncertainties, which are unknown as well; on the other hand, there are numerous levels of decision making, which result in a hierarchical structure in the decision process (tree) that is both asynchronous and non-deterministic. Usually, indifferent of the specific application, as one lowers the level of decision making, alternatives depend on fewer independent variables and models become more detailed and physics/engineering based. On the contrary, at higher levels, various components aggregate and decision making is based more on fuzzier criteria instead …