GDASH: a grid-enabled program for structure solution from powder diffraction data

The simulated annealing approach to structure solution from powder diffraction data, as implemented in the DASH program, is easily amenable to parallelization at the individual run level. Very large scale increases in speed of execution can therefore be achieved by distributing individual DASH runs over a network of computers. The GDASH program achieves this by packaging DASH in a form that enables it to run under the Univa UD Grid MP system, which harnesses networks of existing computing resources to perform calculations.

MDASH: a multi-core-enabled program for structure solution from powder diffraction data

The simulated annealing approach to structure solution from powder diffraction data, as implemented in the DASH program, is easily amenable to parallelization at the individual run level. Modest increases in speed of execution can therefore be achieved by executing individual DASH runs on the individual cores of CPUs.

CDASH: a cloud-enabled program for structure solution from powder diffraction data

The simulated annealing approach to crystal structure determination from powder diffraction data, as implemented in the DASH program, is readily amenable to parallelization at the individual run level. Very large scale increases in speed of execution can be achieved by distributing individual DASH runs over a network of computers. The CDASH program delivers this by using scalable on-demand computing clusters built on the Amazon Elastic Compute Cloud service. By way of example, a 360 vCPU cluster returned the crystal structure of racemic ornidazole (Z0 = 3, 30 degrees of freedom) ca 40 times faster than a typical modern quad-core desktop CPU. Whilst used here specifically for DASH, this approach is of general applicability to other packages that are amenable to coarse-grained parallelism strategies.

Expediting New Program Development: Meeting Market Demand and Leveraging Internal Resources

Expediting new program development can help universities meet student and employer demand while gaining an edge over competitors, but coordinating program development and approval requires careful preparation and execution. This report profiles strategies to measure market demand for new programs, choose programs for accelerated development, and leverage internal resources. The report also suggests ways to structure and staff program development to maximize speed and effectiveness.

LALP: a language to program custom FPGA-based acceleration engines

Field-Programmable Gate Arrays (FPGAs) are becoming increasingly important in embedded and high-performance computing systems. They allow performance levels close to the ones obtained with Application-Specific Integrated Circuits, while still keeping design and implementation flexibility. However, to efficiently program FPGAs, one needs the expertise of hardware developers in order to master hardware description languages (HDLs) such as VHDL or Verilog. Attempts to furnish a high-level compilation flow (e.g., from C programs) still have to address open issues before broader efficient results can be obtained. Bearing in mind an FPGA available resources, it has been developed LALP (Language for Aggressive Loop Pipelining), a novel language to program FPGA-based accelerators, and its compilation framework, including mapping capabilities. The main ideas behind LALP are to provide a higher abstraction level than HDLs, to exploit the intrinsic parallelism of hardware resources, and to allow the programmer to control execution stages whenever the compiler techniques are unable to generate efficient implementations. Those features are particularly useful to implement loop pipelining, a well regarded technique used to accelerate computations in several application domains. This paper describes LALP, and shows how it can be used to achieve high-performance computing solutions.

Specification, execution and verification of interaction protocols: an approach based on computational logic

Interaction protocols establish how different computational entities can interact with each other. The interaction can be finalized to the exchange of data, as in 'communication protocols', or can be oriented to achieve some result, as in 'application protocols'. Moreover, with the increasing complexity of modern distributed systems, protocols are used also to control such a complexity, and to ensure that the system as a whole evolves with certain features. However, the extensive use of protocols has raised some issues, from the language for specifying them to the several verification aspects. Computational Logic provides models, languages and tools that can be effectively adopted to address such issues: its declarative nature can be exploited for a protocol specification language, while its operational counterpart can be used to reason upon such specifications. In this thesis we propose a proof-theoretic framework, called SCIFF, together with its extensions. SCIFF is based on Abductive Logic Programming, and provides a formal specification language with a clear declarative semantics (based on abduction). The operational counterpart is given by a proof procedure, that allows to reason upon the specifications and to test the conformance of given interactions w.r.t. a defined protocol. Moreover, by suitably adapting the SCIFF Framework, we propose solutions for addressing (1) the protocol properties verification (g-SCIFF Framework), and (2) the a-priori conformance verification of peers w.r.t. the given protocol (AlLoWS Framework). We introduce also an agent based architecture, the SCIFF Agent Platform, where the same protocol specification can be used to program and to ease the implementation task of the interacting peers.

Towards execution time estimation in abstract machine-based languages

Abstract machines provide a certain separation between platformdependent and platform-independent concerns in compilation. Many of the differences between architectures are encapsulated in the speciflc abstract machine implementation and the bytecode is left largely architecture independent. Taking advantage of this fact, we present a framework for estimating upper and lower bounds on the execution times of logic programs running on a bytecode-based abstract machine. Our approach includes a one-time, programindependent proflling stage which calculates constants or functions bounding the execution time of each abstract machine instruction. Then, a compile-time cost estimation phase, using the instruction timing information, infers expressions giving platform-dependent upper and lower bounds on actual execution time as functions of input data sizes for each program. Working at the abstract machine level makes it possible to take into account low-level issues in new architectures and platforms by just reexecuting the calibration stage instead of having to tailor the analysis for each architecture and platform. Applications of such predicted execution times include debugging/veriflcation of time properties, certiflcation of time properties in mobile code, granularity control in parallel/distributed computing, and resource-oriented specialization.

A generic preprocessor for program validation and debugging

We present a generic preprocessor for combined static/dynamic validation and debugging of constraint logic programs. Passing programs through the preprocessor prior to execution allows detecting many bugs automatically. This is achieved by performing a repertoire of tests which range from simple syntactic checks to much more advanced checks based on static analysis of the program. Together with the program, the user may provide a series of assertions which trigger further automatic checking of the program. Such assertions are written using the assertion language presented in Chapter 2, which allows expressing a wide variety of properties. These properties extend beyond the predefined set which may be understandable by the available static analyzers and include properties defined by means of user programs. In addition to user-provided assertions, in each particular CLP system assertions may be available for predefined system predicates. Checking of both user-provided assertions and assertions for system predicates is attempted first at compile-time by comparing them with the results of static analysis. This may allow statically proving that the assertions hold (Le., they are validated) or that they are violated (and thus bugs detected). User-provided assertions (or parts of assertions) which cannot be statically proved ñor disproved are optionally translated into run-time tests. The implementation of the preprocessor is generic in that it can be easily customized to different CLP systems and dialects and in that it is designed to allow the integration of additional analyses in a simple way. We also report on two tools which are instances of the generic preprocessor: CiaoPP (for the Ciao Prolog system) and CHIPRE (for the CHIP CLP(FL>) system). The currently existing analyses include types, modes, non-failure, determinacy, and computational cost, and can treat modules separately, performing incremental analysis.

Combining static analysis and profiling for estimating execution times in logic programs

Effective static analyses have been proposed which allow inferring functions which bound the number of resolutions or reductions. These have the advantage of being independent from the platform on which the programs are executed and such bounds have been shown useful in a number of applications, such as granularity control in parallel execution. On the other hand, in certain distributed computation scenarios where different platforms come into play, with each platform having different capabilities, it is more interesting to express costs in metrics that include the characteristics of the platform. In particular, it is specially interesting to be able to infer upper and lower bounds on actual execution time. With this objective in mind, we propose a method which allows inferring upper and lower bounds on the execution times of procedures of a program in a given execution platform. The approach combines compile-time cost bounds analysis with a one-time profiling of the platform in order to determine the values of certain constants for that platform. These constants calibrate a cost model which from then on is able to compute statically time bound functions for procedures and to predict with a significant degree of accuracy the execution times of such procedures in the given platform. The approach has been implemented and integrated in the CiaoPP system.

Bridge transformation for continuation call-based tabled execution.

The advantages of tabled evaluation regarding program termination and reduction of complexity are well known —as are the significant implementation, portability, and maintenance efforts that some proposals (especially those based on suspension) require. This implementation effort is reduced by program transformation-based continuation call techniques, at some efficiency cost. However, the traditional formulation of this proposal by Ramesh and Cheng limits the interleaving of tabled and non-tabled predicates and thus cannot be used as-is for arbitrary programs. In this paper we present a complete translation for the continuation call technique which, using the runtime support needed for the traditional proposal, solves these problems and makes it possible to execute arbitrary tabled programs. We present performance results which show that CCall offers a useful tradeoff that can be competitive with state-of-the-art implementations.

A theory for execution-time derivation in real-time programs

We provide an abstract command language for real-time programs and outline how a partial correctness semantics can be used to compute execution times. The notions of a timed command, refinement of a timed command, the command traversal condition, and the worst-case and best-case execution time of a command are formally introduced and investigated with the help of an underlying weakest liberal precondition semantics. The central result is a theory for the computation of worst-case and best-case execution times from the underlying semantics based on supremum and infimum calculations. The framework is applied to the analysis of a message transmitter program and its implementation. (c) 2005 Elsevier B.V. All rights reserved.

Procedures and parameters in the real-time program refinement calculus

The real-time refinement calculus is a formal method for the systematic derivation of real-time programs from real-time specifications in a style similar to the non-real-time refinement calculi of Back and Morgan. In this paper we extend the real-time refinement calculus with procedures and provide refinement rules for refining real-time specifications to procedure calls. A real-time specification can include constraints on, not only what outputs are produced, but also when they are produced. The derived programs can also include time constraints oil when certain points in the program must be reached; these are expressed in the form of deadline commands. Such programs are machine independent. An important consequence of the approach taken is that, not only are the specifications machine independent, but the whole refinement process is machine independent. To implement the machine independent code on a target machine one has a separate task of showing that the compiled machine code will reach all its deadlines before they expire. For real-time programs, externally observable input and output variables are essential. These differ from local variables in that their values are observable over the duration of the execution of the program. Hence procedures require input and output parameter mechanisms that are references to the actual parameters so that changes to external inputs are observable within the procedure and changes to output parameters are externally observable. In addition, we allow value and result parameters. These may be auxiliary parameters, which are used for reasoning about the correctness of real-time programs as well as in the expression of timing deadlines, but do not lead to any code being generated for them by a compiler. (c) 2006 Elsevier B.V. All rights reserved.

FRAMEWORK SYNTHESIS FOR SYMBOLIC EXECUTION OF EVENT-DRIVEN FRAMEWORKS

Symbolic execution is a powerful program analysis technique, but it is very challenging to apply to programs built using event-driven frameworks, such as Android. The main reason is that the framework code itself is too complex to symbolically execute. The standard solution is to manually create a framework model that is simpler and more amenable to symbolic execution. However, developing and maintaining such a model by hand is difficult and error-prone. We claim that we can leverage program synthesis to introduce a high-degree of automation to the process of framework modeling. To support this thesis, we present three pieces of work. First, we introduced SymDroid, a symbolic executor for Android. While Android apps are written in Java, they are compiled to Dalvik bytecode format. Instead of analyzing an app’s Java source, which may not be available, or decompiling from Dalvik back to Java, which requires significant engineering effort and introduces yet another source of potential bugs in an analysis, SymDroid works directly on Dalvik bytecode. Second, we introduced Pasket, a new system that takes a first step toward automatically generating Java framework models to support symbolic execution. Pasket takes as input the framework API and tutorial programs that exercise the framework. From these artifacts and Pasket's internal knowledge of design patterns, Pasket synthesizes an executable framework model by instantiating design patterns, such that the behavior of a synthesized model on the tutorial programs matches that of the original framework. Lastly, in order to scale program synthesis to framework models, we devised adaptive concretization, a novel program synthesis algorithm that combines the best of the two major synthesis strategies: symbolic search, i.e., using SAT or SMT solvers, and explicit search, e.g., stochastic enumeration of possible solutions. Adaptive concretization parallelizes multiple sub-synthesis problems by partially concretizing highly influential unknowns in the original synthesis problem. Thanks to adaptive concretization, Pasket can generate a large-scale model, e.g., thousands lines of code. In addition, we have used an Android model synthesized by Pasket and found that the model is sufficient to allow SymDroid to execute a range of apps.

Review of Program Integrity Operations At Six Managed Care Organizations Delivering Medicaid Services under a Contract with the South Carolina Department of Health & Human Services

The State contracted with six managed care organizations to deliver Medicaid managed care at an annual cost of $2.7 billion, representing 10% of the State’s annual budget, to 750,000 Medicaid beneficiaries in South Carolina. This review’s scope and objectives were: Test the six MCOs’ compliance and effective execution of the SCDHHS’s managed care contract “Section 11 - Program Integrity” focusing on the operational components of pre-payment review and post-payment review. Identify opportunities to improve SCDHHS’s biennial managed care contract, contract monitoring, and MCO compliance and effective execution of the contract.