Abstract Ray casting on graphics processing units (GPUs) opens new possibilities for molecular visualization. We describe the implementation and calculation of diverse representations such as licorice, ball‐and‐stick, space‐filling van der Waals spheres, approximated solvent‐accessible surfaces using GPUs. introduce HyperBalls, an improved ball‐and‐stick representation replacing tubes, linking atom spheres by hyperboloids that can smoothly connect them. This type depiction is particularly...

Combining molecular dynamics simulations with user interaction would have various applications in both education and re- search. By enabling interactivity the scientist will be able to visualize experiment real time drive simulation a desired state more easily. However, interacting systems of interesting size requires significant computing resources due complexity simulation. In this paper, we propose an approach combine classical parallel simulator, Gromacs, 3D virtual reality environment...

The amount of data generated by molecular dynamics simulations large assemblies and the sheer size complexity systems studied call for new ways to analyse, steer interact with such calculations. Traditionally, analysis is performed off-line once huge simulation results have been saved disks, thereby stressing supercomputer I/O systems, making it increasingly difficult handle post-processing from scientist's office. ExaViz framework an alternative approach developed couple tools process as...

High Performance Computing (HPC) applications' performance and behavior rely on software hardWare environments Which are often highly configurable. Finding their optimal parametrization is a very complex task. The size of the parametric space non-linear relationship between parameters delivered make hand-tuning, theoretical modeling or exhaustive sampling unsuitable for most cases. In this paper, We propose an auto-tuning loop that uses black-box optimization to Find IO accelerators given...

Summary High performance computing (HPC) applications' behaviors rely on highly configurable software environments and hardware devices. Finding their optimal parametrization is a complex task, as the size of parametric space non‐linear behavior HPC systems make hand‐tuning, theoretical modeling or exhaustive sampling unsuitable in most cases. In this article, we propose an online auto‐tuner that relies black‐box optimization to find input/output (I/O) accelerators for given application...

Abstract The intracellular effect of dexamethasone (DXME) on the activity and gene expression ornithine decarboxylase (ODC) was studied in Syrian hamster embryo cells (SHE). ODC (expressed as nmoles decarboxylated mg −1 protein h ) 4·61 ± 0·14 untreated cells, whereas it increased to 14·38 0·26 after 5h treatment with 1·6 × 10 −7 M TPA. In contrast, DXME (2·5 −5 reduced by 50 per cent 2·35 0·22. co‐treated for 5 TPA DXME, acitivity decreased level cells. However, when added 3 2 h, continuous...

Like most modern computer systems, High Performance Computing (HPC) machines integrate many highly configurable hardware devices and software components. Finding their optimal parametrization is a complex task, as the size of parametric space non-linear behavior HPC systems make hand tuning, theoretical modeling or exhaustive sampling unsuitable for cases. Auto-tuning methods relying on black-box optimization have emerged promising solution finding systems' best without making any assumption...

The interactive scientific visualization applications are based on heterogeneous codes to implement simulation or data processing, and interaction parts. These different parts need be precisely assembled construct an efficient application running in time. Component-based approach is a good paradigm express this kind of applications. domain now classically extended with visual analysis In case, some the added removed dynamically during its execution. paper, we describe component-based...

Abstract Similarity joins are recognized to be among the most used data processing and analysis operations. We introduce a C++-based high-level parallel pattern implemented on top of FastFlow Building Blocks provide programmer with ready-to-use similarity join computations. The SimilarityJoin is according MapReduce paradigm enriched locality sensitive hashing (LSH) optimize whole computation. new can any C++ serializable structure executed shared- distributed-memory machines. present...

En 1924, la Bibliothèque nationale accueille dans salle de lecture publique et Labrouste des lecteurs qui ne peuvent lire que grâce à lumière du jour. L’arrivée d’un nouvel administrateur général coïncide avec une série nouveautés vie Bibliothèque, parmi lesquelles l’installation l’éclairage électrique. La presse l’époque se fait largement l’écho ces améliorations.

FlowVR is a component-based middleware providing the means to develop and run high performance VR or Scientific Visualization applications on PC cluster grid architecture. In this paper, we present FvSciViz, generic framework based FlowVR, build interactive scientific visualization from heterogeneous components. FvSciViz provides an API, called FVmoduleAPI, components, template of application automatic tools generate defined by user. FVmoduleAPI encapsulates technicalities in few simple...

The service oriented computing paradigm proposes the construction of applications by integrating pre-existent services. Since a large number services may be available in cloud, recommendation and selection are key problems. paper automation task that takes abstract specification composition, definition concrete preferences obtained from routine to produce list refinements preference order. This presents three versions our approach. They differ implementation options or methods used combine...

The ALPHA language, based on systems of affine recurrence equations over polyhedral domains, allows the expression complex algorithms as hierarchical, parameterized structures such systems. This paper discusses static analysis programs, an extended type-checking process single assignment rule. We present techniques ensuring, one hand, that a system is valid (with respect to this rule) within certain range its parameters, and other, no used with invalid values parameters. These have been...

The Service Oriented Computing Paradigm proposes the construction of applications by integrating pre-existent services. Since a large number services may be available in Cloud, selection is crucial task definition composition. selected should attend requirements compound application, considering both functional and non-functional (including quality preference constraints). As increases, automation becomes desirable. We propose method for refinement service compositions that takes abstract...