Molecular dynamics techniques grew rapidly in the last twenty years. The growth was fuelled by development of new scalable mathematical algorithms, availability of powerful hardware and better availability of ready to use software packages. DL_POLY is one of these packages, widely adopted by the computational physics and material science communities. DL_POLY started its life in 1992 at Daresbur...

OBJECTIVES The authors tested the hypothesis that exercise treadmill testing (ETT)-induced ST-segment elevation (STE) in electrocardiographic lead aVR is an important indicator of significant left main coronary artery (LMCA) or ostial left anterior descending coronary artery (LAD) stenosis. BACKGROUND Although STE in lead aVR is an indicator of LMCA or very proximal LAD occlusion in acute cor...

The Message Passing Interface (MPI) standard for programming parallel computers is widely used for building both programs and libraries. Two of the strengths of MPI are its support for libraries and the existence of multiple implementations on many platforms. These two strengths are in conflict, however, when an application wants to use libraries built with different MPI implementations. This p...

Dynamic verification methods are the natural choice for debugging real world programs when model extraction and maintenance are expensive. Message passing programs written using the MPI library fall under this category. Partial order reduction can be very effective for MPI programs because for each process, all its local computational steps, as well as many of its MPI calls, commute with the co...

Abstract Funding Acknowledgements Type of funding sources: None. Introduction Pericoronary adipose tissue, due to its proximity coronary arteries, has been proposed contribute the progression atherosclerosis. Purpose The aim this study was evaluate prognostic value pericoronary fat thickness (PCFT), artery calcium (CAC) score and myocardial perfusion reserve (MPR) by hybrid 82Rubidium (82Rb) PE...

In this paper we discuss the design and use of a fault tolerant MPI (FT-MPI) that handles process failures in a way beyond that of the original MPI static process model. FT-MPI allows the semantics and associated modes of failures to be explicitly controlled by an application via a modified functionality within the standard MPI 1.2 API. Given is an overview of the FT-MPI semantics, architecture...

Future high-performance computing systems may face frequent failures with their rapid increase in scale and complexity. Resilience to faults has become a major challenge for large-scale applications running on supercomputers, which demands fault tolerance support for prevalent MPI applications. Among failure scenarios, process failures are one of the most severe issues as they usually lead to t...

MPI is routinely used for writing parallel applications, but it is not commonly used for writing long-running parallel services, such as parallel file systems or job schedulers. Nonetheless, MPI does have many features that are potentially useful for writing such software. Using the PVFS2 parallel file system as a motivating example, we studied the needs of software that provide persistent para...