Parallel min-cut placement on reduced hardware SIMD architecture.

Massively parallel SIMD computing is applied to obtain an order of magnitude improvement in the executional speed of an important algorithm in VLSI design automation. The physical design of a VLSI circuit involves logic module placement as a subtask. The paper is concerned with accelerating the well known Min-cut placement technique for logic cell placement. The inherent parallelism of the Min-cut algorithm is identified, and it is shown that a parallel machine based on the efficient execution of the placement procedure.

Visualisation of a 2′-5′ parallel stranded double helix at atomic resolution: crystal structure of cytidylyl-2′,5′-adenosine

X-ray crystallographlc studies on 3′–5′ ollgomers have provided a great deal of information on the stereochemistry and conformational flexibility of nucleic acids and polynucleotides. In contrast, there is very little Information available on 2′–5′ polynucleotides. We have now obtained the crystal structure of Cytidylyl-2′,5′-Adenoslne (C2′p5′A) at atomic resolution to establish the conformational differences between these two classes of polymers. The dlnucleoside phosphate crystallises in the monocllnlc space group C2, with a = 33.912(4)Å, b =16.824(4)Å, c = 12.898(2)Å and 0 = 112.35(1) with two molecules in the asymmetric unit. Spectacularly, the two independent C2′p5′A molecules in the asymmetric unit form right handed miniature parallel stranded double helices with their respective crystallographic two fold (b axis) symmetry mates. Remarkably, the two mini duplexes are almost indistinguishable. The cytosines and adenines form self-pairs with three and two hydrogen bonds respectively. The conformation of the C and A residues about the glycosyl bond is anti same as in the 3′–5′ analog but contrasts the anti and syn geometry of C and A residues in A2′p5′C. The furanose ring conformation is C3′endo, C2′endo mixed puckering as in the C3′p5′A-proflavine complex. A comparison of the backbone torsion angles with other 2′–5′ dinucleoside structures reveals that the major deviations occur in the torsion angles about the C3′–C2′ and C4′-C3′ bonds. A right-handed 2′–5′ parallel stranded double helix having eight base pairs per turn and 45° turn angle between them has been constructed using this dinucleoside phosphate as repeat unit. A discussion on 2′–5′ parallel stranded double helix and its relevance to biological systems is presented.

Effect of coordinated ions on structure and flexiblity of parallel G-quandruplexes: a molecular dynamics study

Single tract guanine residues can associate to form stable parallel quadruplex structures in the presence of certain cations. Nanosecond scale molecular dynamics simulations have been performed on fully solvated fibre model of parallel d(G7) quadruplex structures with Na+ or K+ ions coordinated in the cavity formed by the 06 atoms of the guanine bases. The AMBER 4.1 force field and Particle Mesh Ewald technique for electrostatic interactions have been used in all simulations. These quadruplex structures are stable during the simulation, with the middle four base tetrads showing root mean square deviation values between 0.5 to 0.8 A from the initial structure as well the high resolution crystal structure. Even in the absence of any coordinated ion in the initial structure, the G-quadruplex structure remains intact throughout the simulation. During the 1.1 ns MD simulation, one Na+ counter ion from the solvent as well as several water molecules enter the central cavity to occupy the empty coordination sites within the parallel quadruplex and help stabilize the structure. Hydrogen bonding pattern depends on the nature of the coordinated ion, with the G-tetrad undergoing local structural variation to accommodate cations of different sizes. In the absence of any coordinated ion, due to strong mutual repulsion, 06 atoms within G-tetrad are forced farther apart from each other, which leads to a considerably different hydrogen bonding scheme within the G-tetrads and very favourable interaction energy between the guanine bases constituting a G-tetrad. However, a coordinated ion between G-tetrads provides extra stacking energy for the G-tetrads and makes the quadruplex structure more rigid. Na+ ions, within the quadruplex cavity, are more mobile than coordinated K+ ions. A number of hydrogen bonded water molecules are observed within the grooves of all quadruplex structures

Analytical and simulation studies of a multiprocessor system for high-speed numerical computations

This paper describes the architecture of a multiprocessor system which we call the Broadcast Cube System (BCS) for solving important computation intensive problems such as systems of linear algebraic equations and Partial Differential Equations (PDEs), and highlights its features. Further, this paper presents an analytical performance study of the BCS, and it describes the main details of the design and implementation of the simulator for the BCS.

Turbulent flow computations on a hybrid cartesian point distribution using meshless solver LSFD-U

This paper may be considered as a sequel to one of our earlier works pertaining to the development of an upwind algorithm for meshless solvers. While the earlier work dealt with the development of an inviscid solution procedure, the present work focuses on its extension to viscous flows. A robust viscous discretization strategy is chosen based on positivity of a discrete Laplacian. This work projects meshless solver as a viable cartesian grid methodology. The point distribution required for the meshless solver is obtained from a hybrid cartesian gridding strategy. Particularly considering the importance of an hybrid cartesian mesh for RANS computations, the difficulties encountered in a conventional least squares based discretization strategy are highlighted. In this context, importance of discretization strategies which exploit the local structure in the grid is presented, along with a suitable point sorting strategy. Of particular interest is the proposed discretization strategies (both inviscid and viscous) within the structured grid block; a rotated update for the inviscid part and a Green-Gauss procedure based positive update for the viscous part. Both these procedures conveniently avoid the ill-conditioning associated with a conventional least squares procedure in the critical region of structured grid block. The robustness and accuracy of such a strategy is demonstrated on a number of standard test cases including a case of a multi-element airfoil. The computational efficiency of the proposed meshless solver is also demonstrated. (C) 2010 Elsevier Ltd. All rights reserved.

An optimal parallel algorithm for sparse matrix bandwidth reduction on a linear array

A simple and efficient algorithm for the bandwidth reduction of sparse symmetric matrices is proposed. It involves column-row permutations and is well-suited to map onto the linear array topology of the SIMD architectures. The efficiency of the algorithm is compared with the other existing algorithms. The interconnectivity and the memory requirement of the linear array are discussed and the complexity of its layout area is derived. The parallel version of the algorithm mapped onto the linear array is then introduced and is explained with the help of an example. The optimality of the parallel algorithm is proved by deriving the time complexities of the algorithm on a single processor and the linear array.

Molecular dynamics simulations on parallel and antiparallel C.G*G triplexes

Molecular dynamics (MD) studies have been carried out on the Hoogsteen hydrogen bonded parallel and the reverse Hoogsteen hydrogen banded antiparallel C.G*G triplexes. Earlier, the molecular mechanics studies had shown that the parallel structure was energetically more favourable than the antiparallel structure. To characterize the structural stability of the two triplexes and to investigate whether the antiparallel structure can transit to an energetically more favourable structure, due to the local fluctuations in the structure during the MD simulation, the two structures were subjected to 200ps of constant temperature vacuum MD simulations at 300K. Initially no constraints were applied to the structures and it was observed that for the antiparallel tripler, the structure showed a large root mean square deviation from the starting structure within the first 12ps and the N4-H41-O6 hydrogen bond in the WC duplex got distorted due to a high propeller twist and a moderate increase in the opening angle in the basepairs. Starting from an initial value of 30 degrees, helical twist of the average structure from this simulation had a value of 36 degrees, while the parallel structure stabilized at a twist of 33 degrees. In spite of the hydrogen bond distortions in the antiparallel tripler, it was energetically comparable to the parallel tripler. To examine the structural characteristics of an undistorted structure, another MD simulation was performed on the antiparallel tripler by constraining all the hydrogen bonds. This structure stabilized at an average twist of 33 degrees. In the course of the dynamics though the energy of the molecule - compared to the initial structure - improved, it did not become comparable to the parallel structure. Energy minimization studies performed in the presence of explicit water and counterions also showed the two structures to be equally favourable energetically Together these results indicate that the parallel C.G*G tripler with Hoogsteen hydrogen bonds also represents a stereochemically and energetically favourable structure for this class of triplexes.

A fault-tolerant multi-transputer architecture

A new fault-tolerant multi-transputer architecture capable of tolerating failure of any one component in the system is described. In the proposed architecture the processing nodes are automatically reconfigured in the event of a fault and the computations continue from the stage where the fault occurred. The process of reconfiguration is transparent to the user, and the identity of the failed component is communicated to the user along with the results of computations. Parallel solution of a typical engineering problem involving solution of Laplace's equation by the boundary element method has been implemented. The performance of the architecture in the event of faults has been investigated.

Decentralized Parallel Operation of Inverters Sharing Unbalanced and Nonlinear Loads

In this paper, a wireless control strategy for parallel operation of three-phase four-wire inverters is proposed. A generalized situation is considered where the inverters are of unequal power ratings and the loads are nonlinear and unbalanced in nature. The proposed control algorithm exploits the potential of sinusoidal domain proportional+multiresonant controller ( in the inner voltage regulation loop) to make the system suitable for nonlinear and unbalanced loads with a simple and generalized structure of virtual output-impedance loop. The decentralized operation is achieved by using three-phase P/Q droop characteristics. The overall control algorithm helps to limit the harmonic contents and the degree of unbalance in the output-voltage waveform and to achieve excellent power-sharing accuracy in spite of mismatch in the inverter output impedances. Moreover, a synchronized turn on with consequent change over to the droop mode is applied for the new incoming unit in order to limit the circulating current completely. The simulation and experimental results from-1 kVA and -0.5 kVA paralleled units validate the effectiveness of the scheme.

Parallel Tempering Simulations of Liquid-Phase Adsorption of n-Alkane Mixtures in Zeolite LTA-5A

Adsorption of n-alkane mixtures in the zeolite LTA-5A under liquid-phase conditions has been studied using grand canonical Monte Carlo (GCMC) simulations combined with parallel tempering. Normal GCMC techniques fail for some of these systems due to the preference of linear molecules to coil within a single cage in the zeolite. The narrow zeolite windows severerly restrict interactions of the molecules, making it difficult to simulate cooperative rearrangements necessary to explore configuration space. Because of these reasons, normal GCMC simulations results show poor reproducibility in some cases. These problems were overcome with parallel tempering techniques. Even with parallel tempering, these are very challenging systems for molecular simulation. Similar problems may arise for other zeolites such as CHA, AFX, ERI, KFI, and RHO having cages connected by narrow windows. The simulations capture the complex selectivity behavior observed in experiments such as selectivity inversion and azeotrope formation.

Parallel computing concepts and methods for floquet analysis of helicopter trim and stability

Floquet analysis is widely used for small-order systems (say, order M < 100) to find trim results of control inputs and periodic responses, and stability results of damping levels and frequencies, Presently, however, it is practical neither for design applications nor for comprehensive analysis models that lead to large systems (M > 100); the run time on a sequential computer is simply prohibitive, Accordingly, a massively parallel Floquet analysis is developed with emphasis on large systems, and it is implemented on two SIMD or single-instruction, multiple-data computers with 4096 and 8192 processors, The focus of this development is a parallel shooting method with damped Newton iteration to generate trim results; the Floquet transition matrix (FTM) comes out as a byproduct, The eigenvalues and eigenvectors of the FTM are computed by a parallel QR method, and thereby stability results are generated, For illustration, flap and flap-lag stability of isolated rotors are treated by the parallel analysis and by a corresponding sequential analysis with the conventional shooting and QR methods; linear quasisteady airfoil aerodynamics and a finite-state three-dimensional wake model are used, Computational reliability is quantified by the condition numbers of the Jacobian matrices in Newton iteration, the condition numbers of the eigenvalues and the residual errors of the eigenpairs, and reliability figures are comparable in both the parallel and sequential analyses, Compared to the sequential analysis, the parallel analysis reduces the run time of large systems dramatically, and the reduction increases with increasing system order; this finding offers considerable promise for design and comprehensive-analysis applications.

On boundedness and parallel to center dot parallel to(p) continuity of second quantisation

in this short note, we determine precisely which operators have the property that their (full, symmetric or antisymmetric) second quantisation is an operator which is bounded or belongs to one of the various Schatten ideals; we also note that in 'the interior' of the natural domain, the second quantisation is a continuous map.

Symmetrizing a Hessenberg matrix: Designs for VLSI parallel processor arrays

A symmetrizer of a nonsymmetric matrix A is the symmetric matrix X that satisfies the equation XA = A(t)X, where t indicates the transpose. A symmetrizer is useful in converting a nonsymmetric eigenvalue problem into a symmetric one which is relatively easy to solve and finds applications in stability problems in control theory and in the study of general matrices. Three designs based on VLSI parallel processor arrays are presented to compute a symmetrizer of a lower Hessenberg matrix. Their scope is discussed. The first one is the Leiserson systolic design while the remaining two, viz., the double pipe design and the fitted diagonal design are the derived versions of the first design with improved performance.