Title of the program: SPINORBIT WEIGHTS 2 Catalogue number: ACXL Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: Amdahl 470 V/6; Installation: University of Alberta, Edmonton, Alberta, Canada Operating system: MTS Programming language used: FORTRAN IV High speed core required: 25590 bytes No. of bits per byte: 8 Overlay structure: none Other peripherals used: card reader, line printer, card punch No. of magnetic tapes required: none No. of cards in combined program and test deck: 1952 Card punching code: EBCDIC 029 CPC library subprograms used
Title of program: GF VALUES Catalogue number: ACRZ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: IBM S360/75; Installation: University of Waterloo, Waterloo, Ontario, Canada Operating system: Hasp II Programming language used: FORTRAN IV High speed core required: 134 K bytes Number of bits in a byte: 8 Overlay structure: None Number of magnetic tapes required: None Other peripherals required: Card reader, printer; disk (optional) Number of cards in the combined program and test deck: 903 Card punching code: EBCDIC 029CPC Library subprograms used (to supply data)
Title of program: POLORB Catalogue number: AAGW Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue)
Computer:
Installation:
CDC 7600
NCAR, Boulder, Colorado
CDC 6600
ULCC, University of London
ICL 1904S
Queen Mary College, London Operating system: SCOPE, MAXIMOP Programming language used: FORTRAN IV High speed storage required: 31 kwords No. of bits in a word: 60 Overlay structure: None No. of magnetic tapes required: None Other peripherals used: Card reader, line printer No. of cards in combined program and test deck: 1722 Card punching code: CDC
Title of program: OPTIX KSU 1 Catalogue number: ACRR Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue). Computer: PDP-15; Installation: Department of Physics, Kansas State University, Manhattan, Kansas, USA. Operating system: BF Programming language used: Fortran IV High speed storage required: 14K words No. of bits in a word: 18 for integer variable. 2 words per floating-point variable. Overlay structure: Overlaid No. of magnetic tapes required: 2 PDP DEC tapes Other peripherals used: Lineprinter, typewriter, storage oscilloscope images No. of card images in combined program and test deck: 3660 Card punching code: ASCII Reference to other published version of this program:
Title of program: SPACE GROUP REPRESENTATIONS Catalogue number: ACUA Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue)
The main problem considered in this paper consists of binarizing categorical (nominal) attributes having a very large number of values (204 in our application). A small number of relevant binary attributes are gathered from each initial attribute. Let us suppose that we want to binarize a categorical attribute v with L values, where L is large or very large. The total number of binary attributes that can be extracted from v is 2L−1− 1, which in the case of a large L is prohibitive. Our idea is to select only those binary attributes that are predictive; and these shall constitute a small fraction of all possible binary attributes. In order to do this, the significant idea consists in grouping the L values of a categorical attribute by means of an hierarchical clustering method. To do so, we need to define a similarity between values, which is associated with their predictive power. By clustering the L values into a small number of clusters (J), we define a new categorical attribute with only J values. The hierarchical clustering method used by us, AVL, allows to choose a significant value for J. Now, we could consider using all the 2L−1− 1 binary attributes associated with this new categorical attribute. Nevertheless, the J values are tree-structured, because we have used a hierarchical clustering method. We profit from this, and consider only about 2 × J binary attributes. If L is extremely large, for complexity and statistical reasons, we might not be able to apply a clustering algorithm directly. In this case, we start by “factorizing” v into a pair (v2, v2), each one with about √L(v) values. For a simple example, consider an attribute v with only four values m1,m2, m3,m4. Obviously, in this example, there is no need to factorize the set of values of v, because it has a very small number of values. Nevertheless, for illustration purposes, v could be decomposed (factorized) into 2 attributes with only two values each; the correspondence between the values of v and (v2, v2) would be
Title of program: MEDUSA 1 Catalogue number: ABUG Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: ICL 4–70; Installation: UKAEA Culham Laboratory Operating system: ICL Multijob Programming languages used: STANDARD FORTRAN High speed store required: 45000 words. No. of bits in a word: 32 Overlay structure: None No. of magnetic tapes required: None Other peripherals used: Line printer No. of cards in combined program and test deck: 6316 Card punching code: EBCDIC
This volume contains the proceedings of the Workshop on Verification of Logic Programs, organised within the 1999 International Conference on Logic Programming. The workshop took place on December 1, 1999 in Las Cruces, New Mexico, USA.We are indebted to many people who have contributed to making this workshop possible. First of all, we would like to thank the authors of the submitted papers. Secondly, we thank the members of the organising committee:
A large class of systems can be specified and verified by abstracting away from the temporal aspects. This is the class of systems where time affects the performance but not the functional behaviour. In time-critical systems, instead, time issues become essential. Their correctness depends not only on which actions a system can perform but also on their execution time. Due to their importance, time-critical systems have attracted the attention of a considerable number of computer scientists from various research areas.This volume contains the Proceedings of the International Workshop on Models for Time-Critical Systems (MTCS 2000), held in State College (Pennsylvania, USA) 26 August 2000. The objectives of the workshop were (i) to validate the more promising proposals on models for time-critical systems and (ii) to promote interaction between different research areas in the field of time-critical systems.MTCS 2000 was one of the four satellite workshops of the 11th International Conference on Concurrency Theory (CONCUR 2000), held in State College (Pennsylvania, USA) 22-25 August 2000. The other three were: 7th International Workshop on Expressiveness in Concurrency (EXPRESS'00), 2nd Workshop on Geometric and Topological Methods in Concurrency Theory (GETCO 2000) and Why Object-Orientation (Y00).The six papers in this volume were selected by the Program Committee from submissions received in response to a Call for Papers. The final proceedings will appear as Volume 39 in the series Electronic Notes in Theoretical Computer Science (ENTCS). The volumes in the ENTCS series can be accessed at the URLhttp://www.elsevier.nl/locate/entcsWe would like to thank Catuscia Palamidessi and Dale Miller (CONCUR 2000 Conference Chairs) and Uwe Nestmann (Satellite Workshops Chair) for the opportunity they gave us to organize MTCS 2000 and for their continuous support. Many thanks are due to Thomas Henzinger (Invited Speaker) and to the members of the Program Committee as well as their sub-referees for their accurate work. We would also like to thank Michael Mislove for his help during the proceedings editorial process.
This paper presents a method developed to solve industrial decision problems based on Expected Utility Theory. The approach involves five steps:
(1)
Structuring of the decision problem — this task encompasses the listing of the main objectives, technological alternatives available and the definition of the attributes of the decision problem.
(2)
construction of the scales to measure the attributes.
(3)
testing of the independence conditions needed to validate the final multiattribute utility model.
(4)
assessment of utility trade-offs between the attributes and construction of the final multiattribute utility model.
(5)
assessment of the utility of every alternative with respect to all the attributes and subsequent ranking of them.
We present a general purpose parallel molecular dynamics simulation code. The code can handle NVE, NVT, and NPT ensemble molecular dynamics, Langevin dynamics, and dissipative particle dynamics. Long-range interactions are handled by using the smooth particle mesh Ewald method. The implicit solvent model using solvent-accessible surface area was also implemented. Benchmark results using molecular dynamics, Langevin dynamics, and dissipative particle dynamics are given.
Program summary
Title of program:MM_PARCatalogue identifier:ADXP_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXP_v1_0Program obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputer for which the program is designed and others on which it has been tested:any UNIX machine. The code has been tested on Linux cluster and IBM p690Operating systems or monitors under which the program has been tested:Linux, AIXProgramming language used:CMemory required to execute with typical data:∼60 MB for a system of atoms Has the code been vectorized or parallelized? parallelized with MPI using atom decomposition and domain decompositionNo. of lines in distributed program, including test data, etc.:171 427No. of bytes in distributed program, including test data, etc.:4 558 773Distribution format:tar.gzExternal routines/libraries used:FFTW free software (http://www.fftw.org)Nature of physical problem:Structural, thermodynamic, and dynamical properties of fluids and solids from microscopic scales to mesoscopic scales.Method of solution:Molecular dynamics simulation in NVE, NVT, and NPT ensemble, Langevin dynamics simulation, dissipative particle dynamics simulation.Typical running time:Table below shows the typical run times for the four test programs.
Benchmark results. The values in the parenthesis are the number of processors used
ForewordThis volume contains the Proceedings of the Second International Workshop on Rule-Based Programming (RULE2001). The Workshop was held in Firenze, Italy on September 4, 2001, as satellite event to PLI2001.This is the second edition of the International Workshop on Rule-Based Programming (RULE'2001). We aim with this workshop at a fruitful cross fertilization of the theoretical foundations of rule-based programming with practical applications and implementation of rule-based systems. We are very pleased with the broad range of papers: quite a number of very theoretical ones upto papers describing a system and a paper describing a comparison between a number of rule-based systems to tackle a bio-medical problem.Rule-based programming began with AI rule-based systems in the seventies. This paradigm is inherent in Prolog and has been used in program-manipulation systems like Refine. Indeed, the rewriting concept appears throughout computer science, from its theoretical foundations to very practical implementations. Extreme examples include the mail system in Unix which uses rules in order to rewrite mail addresses to canonical forms and the transition rules describing the behaviour of tree automata. Rewriting is used in semantics in order to describe the meaning of programming languages, as well as in program transformations like the re-engineering of Cobol programs. It is used to compute, implicitly or explicitly, as in Mathematica or OBJ, but also to perform deduction when using inference rules to describe a logic, theorem prover or constraint solver. Last, but not least, this approach is central to systems that raise the notion of rule to an explicit first class object, like expert systems, programming languages based on equational logic, algebraic specifications (e.g. OBJ), functional programming (e.g. ML) and transition systems (e.g. Murphi).Rule-based programming is currently experiencing a renewed period of growth with the emergence of new concepts and systems that allow one to better understand and better use it. From the theoretical side, after the in-depth study of rewriting concepts during the eighties, the nineties saw the emergence of the general concepts of rewriting logic and of the rewriting calculus. On the practical side, new languages, like ASM, ASF+SDF, Claire, ELAN and Maude, systems like LRR, and also commercial products, like Ilog Rules, have shown that the concept of rule could be of major interest as a programming tool. In particular, because it is now of practical use, fundamental questions arise, like the theoretical study of the algorithmic complexity of programs written in such languages, as well as their optimisation. Of course, semantics of such languages, compilation techniques and methodological studies of their use should also be explored.Rule based programming is closely related to both functional programming (when the term rewrite system is confluent and terminating) as well as classical logic programming (when the rewrite system is used for nondeterministic search).Accordingly, the purpose of this workshop is to bring together researchers from these various domains to foster fertilisation between theory and practice, as well as to favour the growth of this programming paradigm.
The EXPRESS workshops aim at bringing together researchers interested in the relations between various formal systems, particularly in the field of Concurrency. More specifically, they focus on the comparison between programming concepts (such as concurrent, functional, imperative, logic and object-oriented programming) and between mathematical models of computation (such as process algebras, Petri nets, event structures, modal logics, rewrite systems etc.) on the basis of their relative expressive power.The EXPRESS workshops were originally held as meetings of the HCM project EXPRESS, which was active with the same focus from January 1994 till December 1997. The first three workshops were held respectively in Amsterdam (1994, chaired by Frits Vaandrager), Tarquinia (1995, chaired by Rocco De Nicola), and Dagstuhl (1996, co-chaired by Ursula Goltz and Rocco De Nicola). The workshop in 1997, which took place in Santa Margherita Ligure and was co-chaired by Catuscia Palamidessi and Joachim Parrow, was organized as a conference with a call for papers and a significant attendance from outside the project. The 1998 workshop was held as a satellite workshop of the CONCUR'98 conference in Nice, co-chaired by Ilaria Castellani and Catuscia Palamidessi, and like on that occasion EXPRESS'99 was hosted by the CONCUR'99 conference in Eindhoven, co-chaired by Ilaria Castellani and Björn Victor.This volume contains the Proceedings of EXPRESS'00, which was held in State College (Pennsylvania, USA) on 21 August 2000. It includes the six papers that were selected for presentation by the program committee, together with the contribution by the invited speaker, Neil D. Jones (DIKU, Denmark).We would like to thank the authors of the submitted papers, the invited speakers, and the members of the program committee for their contribution to both the meeting and this volume. Many thanks to Catuscia Palamidessi and Dale Miller (CONCUR 2000 Conference Chairs), and Uwe Nestmann (Satellite Workshops Chair), for the opportunity they gave us to organize EXPRESS'00, and for their continuous support. We would also like to thank Michael Mislove and Uffe Engberg for their help with the editing of the proceedings. Finally, we gratefully acknowledge the support of BRICS (Basic Research in Computer Science), Centre of the Danish National Research Foundation.EXPRESS'00 Programme Committe
A computer algebra program for finding polynomial conserved densities of implicit difference-difference equations is presented. The algorithm is based on scaling properties and implemented in computer algebra system REDUCE. The package is applicable to systems of any number of nonlinear difference-difference equations of polynomial type.
Program summary
Title of program: TXCDCatalogue identifier: ADTSProgram summary URL:http://cpc.cs.qub.ac.uk/summaries/ADTSProgram obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputers: PC/AT compatible machineOperating systems: Windows 2000Programming language used: REDUCE 3.6, RLISPMemory required to execute with typical data: Depends on the problem, minimum about 2 M bytes.No. of bits in a word: 32No. of bytes in distributed program, including test data, etc.: 10 005No. of lines in distributed program, including test data, etc.: 1739Distribution format: tar gzip fileNature of physical problem: The existence of conserved densities for difference-difference equations is of interest for their classification and for understanding the stability of their solutions.Restriction on the complexity of the problem: The program can handle difference-difference equations which can be transformed to polynomial ones, and determine the homogeneous conservation laws.Typical running time: It depends on the equation and the rank of the conserved density. It increases exponentially with the rank of the conserved density. The running times on the PC Pentium with operating systems Windows 2000 (Xeon, 1.7 GHz) are shown in the table below. Timings are given in milliseconds.
The Cuba library provides new implementations of four general-purpose multidimensional integration algorithms: Vegas, Suave, Divonne, and Cuhre. Suave is a new algorithm, Divonne is a known algorithm to which important details have been added, and Vegas and Cuhre are new implementations of existing algorithms with only few improvements over the original versions. All four algorithms can integrate vector integrands and have very similar Fortran, C/C++, and Mathematica interfaces.
Program summary
Title of program:CubaCatalogue identifier: ADVHProgram summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVHProgram obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputer for which the program is designed and others on which is has been tested:Designed for: all platforms with an ISO C99 C compilerTested on: x86 (Linux/gcc), Alpha (Tru64 Unix/gcc)Operating systems or monitors under which the program has been tested: Linux, Tru64 UnixProgramming language used: CMemory required to execute with typical data: 1M wordsNo. of bits in a word: 8No. of processors used: 1Has the code been vectorized or parallelized?: Not yetNo. of lines in distributed program, including test data, etc.: 9380No. of bytes in distributed program, including test data, etc.: 131 293Distribution format: tar.gzNature of the physical problem: Multidimensional numerical integrations, e.g., of phase spaces.Method of solution: The Cuba library contains the four algorithms Vegas, Suave, Divonne, and Cuhre with the following characteristics:
This paper reports the results of a near-global validation of the SRTM DEM dataset, using a unique database of completely independent height measurements derived from satellite altimeter echoes, primarily gathered by ERS-1. These heights are obtained using a rule-based expert system which identifies each echo as 1 of 11 different characteristic shapes, and selects the optimal retracking algorithm to obtain best range to surface. The results of this comparison, which includes over 54 million altimeter derived heights, show generally very good agreement with the SRTM data, with global statistics for mean difference of 3 m and a standard deviation of 16 m. Quantitative validation results are given for each continent and are summarised here.
A new atsp2K module is presented for evaluating the electron density function of any multiconfiguration Hartree-Fock or configuration interaction wave function in the non-relativistic or relativistic Breit-Pauli approximation. It is first stressed that the density function is not a priori spherically symmetric in the general open shell case. Ways of building it as a spherical symmetric function are discussed, from which the radial electron density function emerges. This function is written in second quantized coupled tensorial form for exploring the atomic spherical symmetry. The calculation of its expectation value is performed using the angular momentum theory in orbital, spin, and quasispin spaces, adopting a generalized graphical technique. The natural orbitals are evaluated from the diagonalization of the density matrix.
Program summary
Program title: DENSITYCatalogue identifier: AEFR_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFR_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 6603No. of bytes in distributed program, including test data, etc.: 169 881Distribution format: tar.gzProgramming language: FORTRAN 90Computer: HP XC Cluster Platform 4000Operating system: HP XC System Software 3.2.1, which is a Linux distribution compatible with Red Hat Enterprise Advanced ServerWord size: 32 bitsClassification: 2.1, 2.9, 4.1Subprograms used:
