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In order to address the diversity of existing parallel programming models, it is important to provide development environments that can be incrementally extended with new services. Concerning the debugging of process based models, we have previously designed and implemented a basic interface that can be accessed by other tools as well as by debugging modules associated with high-level programming languages.

This paper describes our experience with the design and implementation of a distributed debugger for C/PVM programs within the scope of the SEPP and HPCTI Copernicus projects. These projects aimed at the development of an integrated parallel software engineering environment based on a high-level graphical parallel programming model (GRAPNEL) and a set of associated tools supporting graphical edition, compilation, simulated and real parallel execution, testing, debugging, performance monitoring, mapping, and load balancing. We discuss how the development of the debugging tool was strongly influenced by the requirements posed by other tools in the environment, namely support for high-level graphical debugging of GRAPNEL programs, and support for the integration of static and dynamic analysis tools. We describe the functionalities of the DDBG debugger and its internal architecture, and discuss its integration with two separate tools in the SEPP/HPCTI environment: the GRED graphical editor for GRAPNEL programs, and the STEPS testing tool for C/PVM programs.

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This paper describes our experience with the design and implementation of a distributed debugger for C/PVM programs within the scope of the SEPP and HPCTI Copernicus projects. These projects aimed at the development of an integrated parallel software engineering environment based on a high-level graphical parallel programming model (GRAPNEL) and a set of associated tools supporting graphical edition, compilation, simulated and real parallel execution, testing, debugging, performance monitoring, mapping, and load balancing. We discuss how the development of the debugging tool was strongly influenced by the requirements posed by other tools in the environment, namely support for high-level graphical debugging of GRAPNEL programs, and support for the integration of static and dynamic analysis tools. We describe the functionalities of the DDBG debugger and its internal architecture, and discuss its integration with two separate tools in the SEPP/HPCTI environment: the GRED graphical editor for GRAPNEL programs, and the STEPS testing tool for C/PVM programs.

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To provide high-level graphical support for PVM (Parallel Virtual Machine) based program development, a complex programming environment (GRADE) is being developed. GRADE currently provides tools to construct, execute, debug, monitor and visualise message-passing parallel programs. It offers high-level graphical programming abstraction mechanism to construct parallel applications by introducing a new graphical language called GRAPNEL. GRADE also provides the programmer with the same graphical user interface during the program design and debugging stages. A distributed debugging engine (DDBG) assists the user in debugging GRAPNEL programs on distributed memory computer architectures. Tape/PVM and PROVE support the performance monitoring and visualization of parallel programs developed in the GRADE environment.

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To provide high-level graphical support for PVM (Parallel Virtual Machine) based program development, a complex programming environment (GRADE) is being developed. GRADE currently provides tools to construct, execute, debug, monitor and visualise message-passing parallel programs. It offers high-level graphical programming abstraction mechanism to construct parallel applications by introducing a new graphical language called GRAPNEL. GRADE also provides the programmer with the same graphical user interface during the program design and debugging stages. A distributed debugging engine (DDBG) assists the user in debugging GRAPNEL programs on distributed memory computer architectures. Tape/PVM and PROVE support the performance monitoring and visualization of parallel programs developed in the GRADE environment.

To achieve a certain degree of confidence that a given program follows its specification, a testing phase must be included in the program development process, and also a complementary debugging phase to help locating the program's bugs. This paper presents an environment which results of the composition and integration of two basic tools: STEPS (Structural TEsting of Parallel Software), which is a testing tool, and DDBG (Distributed DeBuGger), which is a debugging tool. The two tools are presented individually as stand-alone tools, and we describe how they were combined through the use of another intermediate tool: DEIPA (Deterministic re-Execution and Interactive Program Analysis). We claim that the result achieved is a very effective testing and debugging environment.

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We report the three-dimensional crystal structure of acidic seminal fluid protein (aSFP), a 12.9 kDa poly-peptide of the spermadhesin family isolated from bovine seminal plasma, solved by the multiple isomorphous replacement method and refined with data to 1.9 Angstrom resolution with a final R-factor of 17.3%. aSFP is built by a single CUB domain architecture, a 100 to 110 amino-acid-residue extracellular module found in 16 functionally diverse proteins. The structure of aSFP reveals that the CUB domain displays a beta-sandwich topology organised into two 5-stranded beta-sheets, each of which contain two parallel and four antiparallel strands. The structure of aSFP is almost identical to that of porcine spermadhesins PSP-I and PSP-II, which in turn show limited structural similarity with jellyroll topologies of certain virus capsid proteins. Essentially, topologically conserved residues in these proteins are those internal amino acids forming the hydrophobic core of the CUB and the jellyroll domains, suggesting their importance in maintaining the integrity of these protein folds, On the other hand, the structure of aSFP shows structural features that are unique to this protein and which may provide a structural ground for understanding the distinct biological properties of different members of the spermadhesin protein family. (C) 1997 Academic Press Limited.

Spermadhesins, 12,000-14,000 M-r mammalian proteins, include lectins involved in sperm-egg binding and display a single CUB domain architecture. We report the crystal structures of porcine seminal plasma PSP-I/PSP-II, a heterodimer of two glycosylated spermadhesins. and bovine aSFP at 2.4 Angstrom and 1.9 Angstrom resolution respectively.

{Bovine acidic seminal fluid protein (aSFP) is a 12.9 kDa polypeptide of the spermadhesin family built by a single CUB domain architecture. The CUB domain is an extracellular module present in 16 functionally diverse proteins. To determine the three-dimensional structure of aSFP, the protein was crystallized at 21 degrees C by vapor diffusion in hanging drops, using ammonium sulfate, pH 4.7, and polyethyleneglycol 4000 as precipitants, containing 10% dioxane to avoid the formation of clustered crystals. Elongated prismatic crystals with maximal size of 0.6 x 0.3 x 0.2 mm(3) diffract to beyond 1.9 Angstrom resolution and belong to space group P2(1)2(1)2, with cell parameters a = 52.4 Angstrom

To achieve a certain degree of confidence that a given program follows its specification, a testing phase must be included in the program development process, and also a complementary debugging phase to help locating the program’s bugs. This paper presents an environment which results of the composition and integration of two basic tools: STEPS (Structural TEsting of Parallel Software), which is a testing tool, and DDBG (Distributed DeBuGger), which is a debugging tool. The two tools are presented individually as stand-alone tools, and we describe how they were combined through the use of another intermediate tool: DEIPA (Deterministic re-Execution and Interactive Program Analysis). We claim that the result achieved is a very effective testing and debugging environment.

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The structure of desulfoferrodoxin (DFX), a protein containing two mononuclear non-heme iron centres, has been solved by the MAD method using phases determined at 2.8 Angstrom resolution. The iron atoms in the native protein were used as the anomalous scatterers. The model was built from an electron density map obtained after density modification and refined against data collected at 1.9 Angstrom. Desulfoferrodoxin is a homodimer which can be described in terms of two domains, each with two crystallographically equivalent non-heme mononuclear iron centres. Domain I is similar to desulforedoxin with distorted rubredoxin-type centres, and domain II has iron centres with square pyramidal coordination to four nitrogens from histidines as the equatorial ligands and one sulfur from a cysteine as the axial ligand. Domain I in DFX shows a remarkable structural fit with the DX homodimer. Furthermore, three beta-sheets extending from one monomer to another in DFX, two in domain I and one in domain II, strongly support the assumption of DFX as a functional dimer. A calcium ion, indispensable in the crystallisation process, was assumed at the dimer interface and appears to contribute to dimer stabilisation. The C-terminal domain in the monomer has a topology fold similar to that of fibronectin III.